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CAS 1516887-33-4 manufacturers and suppliers on PharmaCompass

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CAS 1516887-33-4
Also known as: 1516887-33-4, (e)-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic acid, (4r)-4-[(3r,5r,6e,8s,9s,10r,13r,14s,17r)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid, (3alpha,5beta,6e)-6-ethylidene-3-hydroxy-7-oxocholan-24-oic acid, Schembl17445150, Amy39028
Molecular Formula
C26H40O4
Molecular Weight
416.6  g/mol
InChI Key
RDCBMNFSJFALPG-VRYJCBLKSA-N

1 2D Structure

CAS 1516887-33-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R)-4-[(3R,5R,6E,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
2.1.2 InChI
InChI=1S/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
2.1.3 InChI Key
RDCBMNFSJFALPG-VRYJCBLKSA-N
2.1.4 Canonical SMILES
CC=C1C2CC(CCC2(C3CCC4(C(C3C1=O)CCC4C(C)CCC(=O)O)C)C)O
2.1.5 Isomeric SMILES
C/C=C/1\[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1516887-33-4

2. (e)-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic Acid

3. (4r)-4-[(3r,5r,6e,8s,9s,10r,13r,14s,17r)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic Acid

4. (3alpha,5beta,6e)-6-ethylidene-3-hydroxy-7-oxocholan-24-oic Acid

5. Schembl17445150

6. Amy39028

7. Mfcd28411244

8. Zinc139235351

9. Ds-9964

10. (r)-4-((3r5r8s9s10r13r14s17re)-6-ethylidene-3-hydroxy-1013-dimethyl-7-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic Acid

11. F11527

12. A854863

13. E-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic Acid

14. (r)-4-((3r,5r,8s,9s,10r,13r,14s,17r,e)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoicacid

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 416.6 g/mol
Molecular Formula C26H40O4
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass416.29265975 g/mol
Monoisotopic Mass416.29265975 g/mol
Topological Polar Surface Area74.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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1516887-33-4
Chengdu Yazhong Bio-pharmaceutical Co., Ltd., founded in 2002, is a leading company with plant extracts, ...
Chengdu Yazhong Bio-pharmaceutical Co., Ltd., founded in 2002, is a leading company with plant extracts, APIs and medical intermediates. Our company is equipped with GMP approved manufacturing feasibilities and state-of-art test equipments, with big technical supports and cooperation by state scientific research institutions and universities.Core products: Diosmin, Diosmin/Hesperidin(90/10), Resveratrol, Ergosterol, Artemisinin.Documents for products:GMP availableMSDS availableStability Data availableDMF available
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Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...
Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.
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Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...
Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.
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Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech ...
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.
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