CAS 82543-18-8

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 82543-18-8, (1r,2r,4r,5r,7s,10r,11s,14s,15s,16s,18s,19s)-15-(3-hydroxypropyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol, Schembl13936418, Dtxsid201036466, Zinc72399958, 17-(3-hydroxypropyl)-6beta,7beta,15beta,16beta-dimethyleneandrostane-3beta,5beta,17beta-triol

Molecular Formula

C₂₄H₃₈O₄

Molecular Weight

390.6 g/mol

InChI Key

ZDMZCRYKODGNBZ-FQKVVJEISA-N

1 2D Structure

CAS 82543-18-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-15-(3-hydroxypropyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol

2.1.2 InChI

InChI=1S/C24H38O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1

2.1.3 InChI Key

ZDMZCRYKODGNBZ-FQKVVJEISA-N

2.1.4 Canonical SMILES

CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5(CCCO)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]6[C@]5(CCCO)O)C)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 82543-18-8

2. (1r,2r,4r,5r,7s,10r,11s,14s,15s,16s,18s,19s)-15-(3-hydroxypropyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol

3. Schembl13936418

4. Dtxsid201036466

5. Zinc72399958

6. 17-(3-hydroxypropyl)-6beta,7beta,15beta,16beta-dimethyleneandrostane-3beta,5beta,17beta-triol

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₈O₄
Molecular Weight	390.6 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	390.27700969 g/mol
Monoisotopic Mass	390.27700969 g/mol
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	696
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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3beta,5beta-Dihydroxy Drospirenone Ring-opened Alcohol ...

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CAS Number

82543-18-8

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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