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Chemistry

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Also known as: 2222-07-3, Elatericin b, Cucurbitacine (i), Jsi-124, 1,2-dehydroelatericin a, Nsc-521777
Molecular Formula
C30H42O7
Molecular Weight
514.6  g/mol
InChI Key
NISPVUDLMHQFRQ-MKIKIEMVSA-N
FDA UNII
SHQ47990PH

Cucurbitacin I
cucurbitacin is a natural product found in Elaeocarpus chinensis, Elaeocarpus hainanensis, and other organisms with data available.
1 2D Structure

Cucurbitacin I

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
2.1.2 InChI
InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
2.1.3 InChI Key
NISPVUDLMHQFRQ-MKIKIEMVSA-N
2.1.4 Canonical SMILES
CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C
2.1.5 Isomeric SMILES
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
2.2 Other Identifiers
2.2.1 UNII
SHQ47990PH
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Elatericin B

2. Jsi 124

3. Jsi124

2.3.2 Depositor-Supplied Synonyms

1. 2222-07-3

2. Elatericin B

3. Cucurbitacine (i)

4. Jsi-124

5. 1,2-dehydroelatericin A

6. Nsc-521777

7. Chebi:3947

8. Shq47990ph

9. Nsc-112167

10. (8s,9r,10r,13r,14s,16r,17r)-17-[(e,2r)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione

11. Nsc521777

12. 19-norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23e)-

13. Mls002702902

14. 19-nor-9.beta.,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-

15. Jsi 124

16. Dtxsid501015546

17. 19-norlanosta-1,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.)- (va

18. Einecs 218-736-8

19. Nsc 112167

20. Nsc 521777

21. Cucurbitaccine (i)

22. Unii-shq47990ph

23. Nsc-521777elatericin B

24. Chembl387737

25. Schembl2523066

26. Schembl15914446

27. Hy-n1405

28. Zinc4097803

29. Lmst01010110

30. Mfcd09971044

31. Nsc112167

32. Akos024456675

33. Cs-5431

34. Ncgc00388208-02

35. 19-nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-

36. 19-norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-

37. 19-norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)- (van)

38. 2,16alpha,20,25-tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(e)-triene-3,11,22-trione

39. 28580-39-4

40. Xt170627

41. Elatericin B; Jsi-124; Nsc-521777

42. A4512

43. C08800

44. 222c073

45. Q27106265

46. (4r,9beta,16alpha,23e)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione

47. (8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione

48. (9?,10?,16?,23e)-2,16,20,25-tetrahydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione

49. 2,16,20,25-terahydroxycucurbita-1,5,23-triene-3,11,22-trione - Iberis Umbellata (candytuft)

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 514.6 g/mol
Molecular Formula C30H42O7
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass514.29305367 g/mol
Monoisotopic Mass514.29305367 g/mol
Topological Polar Surface Area132 Ų
Heavy Atom Count37
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Looking for 2222-07-3 / Cucurbitacin I API manufacturers, exporters & distributors?

Cucurbitacin I manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Cucurbitacin I API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Cucurbitacin I manufacturer or Cucurbitacin I supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Cucurbitacin I manufacturer or Cucurbitacin I supplier.

PharmaCompass also assists you with knowing the Cucurbitacin I API Price utilized in the formulation of products. Cucurbitacin I API Price is not always fixed or binding as the Cucurbitacin I Price is obtained through a variety of data sources. The Cucurbitacin I Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Cucurbitacin I

Synonyms

2222-07-3, Elatericin b, Cucurbitacine (i), Jsi-124, 1,2-dehydroelatericin a, Nsc-521777

Cas Number

2222-07-3

Unique Ingredient Identifier (UNII)

SHQ47990PH

About Cucurbitacin I

cucurbitacin is a natural product found in Elaeocarpus chinensis, Elaeocarpus hainanensis, and other organisms with data available.

Cucurbitacin I Manufacturers

A Cucurbitacin I manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Cucurbitacin I, including repackagers and relabelers. The FDA regulates Cucurbitacin I manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Cucurbitacin I API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Cucurbitacin I Suppliers

A Cucurbitacin I supplier is an individual or a company that provides Cucurbitacin I active pharmaceutical ingredient (API) or Cucurbitacin I finished formulations upon request. The Cucurbitacin I suppliers may include Cucurbitacin I API manufacturers, exporters, distributors and traders.

Cucurbitacin I GMP

Cucurbitacin I Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Cucurbitacin I GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Cucurbitacin I GMP manufacturer or Cucurbitacin I GMP API supplier for your needs.

Cucurbitacin I CoA

A Cucurbitacin I CoA (Certificate of Analysis) is a formal document that attests to Cucurbitacin I's compliance with Cucurbitacin I specifications and serves as a tool for batch-level quality control.

Cucurbitacin I CoA mostly includes findings from lab analyses of a specific batch. For each Cucurbitacin I CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Cucurbitacin I may be tested according to a variety of international standards, such as European Pharmacopoeia (Cucurbitacin I EP), Cucurbitacin I JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Cucurbitacin I USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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