Hangzhou Deli Chemical

ACN-037306

Chemistry, 3 End Use API, 6 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 82543-16-6, 3b,5b-dihydroxy-6b,7b,15b,16b-dimethylene-5b-androst-17-one, 3beta,5-dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androstan-17-one, (1r,2r,4r,5r,7s,10r,11s,14s,16s,18s,19s)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one, 6beta,7beta,15beta,16beta-dimethylene-3beta,5beta-dihydroxyandrostan-17-one, (2s,4ar,4bs,6as,7as,8as,8bs,8cr,8dr,9ar,9br)-2,9b-dihydroxy-4a,6a-dimethylhexadecahydro-1h-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7(7ah)-one

Molecular Formula

C₂₁H₃₀O₃

Molecular Weight

330.5 g/mol

InChI Key

GWUFXQIQXPASJU-VJWUOOCFSA-N

1 2D Structure

ACN-037306

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one

2.1.2 InChI

InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,16+,17-,19-,20+,21+/m0/s1

2.1.3 InChI Key

GWUFXQIQXPASJU-VJWUOOCFSA-N

2.1.4 Canonical SMILES

CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O

2.1.5 Isomeric SMILES

C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6C5=O)C)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 82543-16-6

2. 3b,5b-dihydroxy-6b,7b,15b,16b-dimethylene-5b-androst-17-one

3. 3beta,5-dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androstan-17-one

4. (1r,2r,4r,5r,7s,10r,11s,14s,16s,18s,19s)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one

5. 6beta,7beta,15beta,16beta-dimethylene-3beta,5beta-dihydroxyandrostan-17-one

6. (2s,4ar,4bs,6as,7as,8as,8bs,8cr,8dr,9ar,9br)-2,9b-dihydroxy-4a,6a-dimethylhexadecahydro-1h-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7(7ah)-one

7. Ec 617-347-4

8. Schembl13936420

9. Mfcd09952196

10. Zinc72399748

11. Akos025311213

12. (3s,5r,6r,7r,8r,9s,10r,13s,14s,15s, 16s)-octadecahydro-3,5-dihydroxy-10,13-dimethyl-17h-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthren-17-one

13. Ac-28721

14. As-13047

15. C76643

16. 543d166

17. Q-102812

18. 3?,5?-dihydroxy-6?,7?;15?,16?-dimethylene-androst-17-one

19. 6?,7?,15?,16?-dimethylene-3?,5?-dihydroxyandrostan-17-one

20. 7b-hydroxy-15b,16b-methylene-3b-pivaloyloxy-5 Androsten-17-one

21. 6

22. A,7

23. A,15

24. A,16

25. A-dimethylene-3

26. A,5

27. A-dihydroxyandrostan-17-one

28. 3beta,5-dihydroxy-6beta,7beta:15beta,16beta-dimethylene-5beta-androstane-17-one

29. 3beta,5-dihydroxy-6beta,7beta15beta,16beta-dimethylene-5beta-androstan-17-one

30. (2s,4ar,4bs,6as,7as,9as,9br,9cr,11as)-2,11a-dihydroxy-4a,6a-dimethyloctadecahydro-7h-cyclobuta[4,5]cyclopenta[1,2-a]phenanthren-7-on E

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀O₃
Molecular Weight	330.5 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	330.21949481 g/mol
Monoisotopic Mass	330.21949481 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

82543-16-6

Intermediate Name

3b,5-Dihydroxy-6b,7b:15b,16b-dimeth...

About the Company

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmac...

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmaceutical intermediates and other chemicals, with production bases in Huzhou, Yuhang and Jiande. Our first factory is located in Tangxi Industrial Park of Yuhang District in Hangzhou city, with over 110,000 sqm of lands. There are independent R&D team and well-trained workforces in our company. Well-known for complete production equipments, advanced production methods and a full suite of inspection facilities, we develop, design and produce independently. In collaboration with laboratories of Zhejiang University

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