2alpha-Ethynyl-A-nor-5alpha-androstane-2beta,17beta-diol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O2
Molecular Weight	302.451
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2alpha-Ethynyl-A-nor-5alpha-androstane-2beta,17beta-diol

Structure Search

SMILES

[H][C@]12C[C@@](O)(C[C@]1(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CC2)C#C

InChI

InChIKey=KSJJQCZCDJYYDJ-GWLLLGGASA-N

InChI=1S/C20H30O2/c1-4-20(22)11-13-5-6-14-15-7-8-17(21)18(15,2)10-9-16(14)19(13,3)12-20/h1,13-17,21-22H,5-12H2,2-3H3/t13-,14-,15-,16-,17-,18-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H30O2
Molecular Weight	302.451
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:26 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:26 GMT 2023`
Record UNII	MCA6M7Z62E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2alpha-Ethynyl-A-nor-5alpha-androstane-2beta,17beta-diol

Common Name

English

2-A-Ethynyl-A-Nor-5-A-Androstane-2-Ss,17-Ss-Diol

Common Name

English

(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol

Systematic Name

English

A-Norandrostane-2,17-diol, 2-ethynyl-, (2β,5α,17β)-

Common Name

English

A-NOR-5-ALPHA-ANDROSTANE-2-BETA,17-BETA-DIOL, 2-ALPHA-ETHYNYL-

Common Name

English

E-1182

Code

English

Code System Code Type Description

CAS

1038-19-3

Created by admin on Sat Dec 16 10:06:26 GMT 2023 , Edited by admin on Sat Dec 16 10:06:26 GMT 2023

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EPA CompTox

DTXSID90908602

Created by admin on Sat Dec 16 10:06:26 GMT 2023 , Edited by admin on Sat Dec 16 10:06:26 GMT 2023

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FDA UNII

MCA6M7Z62E

Created by admin on Sat Dec 16 10:06:26 GMT 2023 , Edited by admin on Sat Dec 16 10:06:26 GMT 2023

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PUBCHEM

101699641

Created by admin on Sat Dec 16 10:06:26 GMT 2023 , Edited by admin on Sat Dec 16 10:06:26 GMT 2023

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