CAS 82543-15-5

Chemistry, 2 End Use API, 7 Related Intermediates

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Also known as: 82543-15-5, 3beta,5-dihydroxy-15beta,16beta-methylene-5beta-androst-6-en-17-one, (3b,5b,15a,16a)-15,16-dihydro-3,5-dihydroxy-3'h-cycloprop[15,16]androsta-6,15-dien-17-one, 3beta,5beta-dihydroxy-15beta,16beta-methylene-androst-6-en-17-one, 3'h-cycloprop[15,16]androsta-6,15-dien-17-one,15,16-dihydro-3,5-dihydroxy-, (3b,5b,15a,16a)-, (1r,2s,3s,5s,7s,10s,11r,14s,16r)-14,16-dihydroxy-7,11-dimethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-en-6-one

Molecular Formula

C₂₀H₂₈O₃

Molecular Weight

316.4 g/mol

InChI Key

IYCDFUCBUZDDIU-MBYPHNFESA-N

1 2D Structure

CAS 82543-15-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S,3S,5S,7S,10S,11R,14S,16R)-14,16-dihydroxy-7,11-dimethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-en-6-one

2.1.2 InChI

InChI=1S/C20H28O3/c1-18-6-5-15-12(16(18)13-9-14(13)17(18)22)4-8-20(23)10-11(21)3-7-19(15,20)2/h4,8,11-16,21,23H,3,5-7,9-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19+,20-/m0/s1

2.1.3 InChI Key

IYCDFUCBUZDDIU-MBYPHNFESA-N

2.1.4 Canonical SMILES

CC12CCC(CC1(C=CC3C2CCC4(C3C5CC5C4=O)C)O)O

2.1.5 Isomeric SMILES

C[C@]12CC[C@@H](C[C@]1(C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5C4=O)C)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 82543-15-5

2. 3beta,5-dihydroxy-15beta,16beta-methylene-5beta-androst-6-en-17-one

3. (3b,5b,15a,16a)-15,16-dihydro-3,5-dihydroxy-3'h-cycloprop[15,16]androsta-6,15-dien-17-one

4. 3beta,5beta-dihydroxy-15beta,16beta-methylene-androst-6-en-17-one

5. 3'h-cycloprop[15,16]androsta-6,15-dien-17-one,15,16-dihydro-3,5-dihydroxy-, (3b,5b,15a,16a)-

6. (1r,2s,3s,5s,7s,10s,11r,14s,16r)-14,16-dihydroxy-7,11-dimethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-en-6-one

7. 3,5-dihydroxy-15,16-methylene-androst-6-en-17-one

8. 3

9. A,5

10. A-dihydroxy-15

11. A,16

12. A-methylene-androst-6-en-17-one

13. Ec 617-346-9

14. Schembl856974

15. 3beta,5beta-dihydroxy-15alpha,16alpha-methylene-androst-6-en-17-one

16. Dtxsid60517427

17. Mfcd12407189

18. Zinc71257217

19. (2s,4ar,4bs,6as,7as,8as,8bs,10ar)-2,10a-dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1h)-one

20. Ac-28720

21. Ds-14178

22. Cs-0158287

23. D95108

24. 2-(4-(4-nitrophenoxy)phenyl)aceticacid

25. 543d155

26. A864390

27. Q-102811

28. 3 ,5 -dihydroxy-15 ,16 -methylene-androst-6-en-17-one

29. 3?,5?-dihydroxy-15?,16?-methylene-5 ?-androst-6-en-17-one

30. 3beta,5beta-dihydroxy-15beta,16beta-methyleneandrost-6-en-17-one

31. 3beta,5-dihydroxy-15beta,16beta-methylen-5beta-androst-6-en-17-one

32. 3i(2),5i(2)-dihydroxy-15i(2),16i(2)-methylene-androst-6-en-17-one

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₈O₃
Molecular Weight	316.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	316.20384475 g/mol
Monoisotopic Mass	316.20384475 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	612
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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3?,5-Dihydroxy-15?,16?-methylene-pregn-6-ene-17-one

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CAS Number

82543-15-5

End Use API

Drospirenone

About the Company

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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3 beta,5 beta-Dihydroxy-15 beta,16 beta-methylene-5 bet...

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CAS Number

82543-15-5

End Use API

Drospirenone

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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