Estra-1,3,5(10)-trien-3-ol,17-mercapto-,17-α-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24OS
Molecular Weight	288.448
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Estra-1,3,5(10)-trien-3-ol,17-mercapto-,17-α-

Structure Search

SMILES

[H][C@@]12CC[C@@H](S)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4CC[C@@]23[H]

InChI

InChIKey=BXHVPEXIOIUONM-SFFUCWETSA-N

InChI=1S/C18H24OS/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H24OS
Molecular Weight	288.448
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:22:04 GMT 2023` Edited by `admin` on `Sat Dec 16 08:22:04 GMT 2023`
Record UNII	RUX86W888G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Estra-1,3,5(10)-trien-3-ol,17-mercapto-,17-α-

Systematic Name

English

NSC-524450

Code

English

(8R,9S,13S,14S,17R)-13-methyl-17-sulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-3-OL, 17-ALPHA-MERCAPTO-

Common Name

English

Estra-1,3,5(10)-trien-3-ol, 17α-mercapto-

Common Name

English

Code System Code Type Description

NSC

524450

Created by admin on Sat Dec 16 08:22:04 GMT 2023 , Edited by admin on Sat Dec 16 08:22:04 GMT 2023

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FDA UNII

RUX86W888G

Created by admin on Sat Dec 16 08:22:04 GMT 2023 , Edited by admin on Sat Dec 16 08:22:04 GMT 2023

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PUBCHEM

23618746

Created by admin on Sat Dec 16 08:22:04 GMT 2023 , Edited by admin on Sat Dec 16 08:22:04 GMT 2023

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CAS

7438-72-4

Created by admin on Sat Dec 16 08:22:04 GMT 2023 , Edited by admin on Sat Dec 16 08:22:04 GMT 2023

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