11.BETA.-HYDROXY-STS 557

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO3
Molecular Weight	327.4174
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)C[C@H](O)C3=C4CCC(=O)C=C4CC[C@@]23[H]

InChI

InChIKey=QVHMVYURUMVWSF-VDWQKOAOSA-N

InChI=1S/C20H25NO3/c1-19-11-17(23)18-14-5-3-13(22)10-12(14)2-4-15(18)16(19)6-7-20(19,24)8-9-21/h10,15-17,23-24H,2-8,11H2,1H3/t15-,16-,17-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H25NO3
Molecular Weight	327.4174
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 14:36:27 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:27 GMT 2023`
Record UNII	N6UE7R87DR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11.BETA.-HYDROXY-STS 557

Common Name

English

19-NORPREGNA-4,9-DIENE-21-NITRILE, 11,17-DIHYDROXY-3-OXO-, (11.BETA.,17.ALPHA.)-

Systematic Name

English

2-((8S,11S,13S,14S,17R)-11,17-DIHYDROXY-13-METHYL-3-OXO-1,2,6,7,8,11,12,14,15,16-DECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)ACETONITRILE

Systematic Name

English

17.ALPHA.-CYANOMETHYL-11.BETA.,17.BETA.-DIHYDROXYESTRA-4,9-DIEN-3-ONE

Systematic Name

English

STS-749

Code

English

11.BETA.OH-DIENOGEST

Common Name

English

DIENOGEST METABOLITE M3

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60857739

Created by admin on Sat Dec 16 14:36:27 GMT 2023 , Edited by admin on Sat Dec 16 14:36:27 GMT 2023

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FDA UNII

N6UE7R87DR

Created by admin on Sat Dec 16 14:36:27 GMT 2023 , Edited by admin on Sat Dec 16 14:36:27 GMT 2023

PRIMARY

CAS

86153-39-1

Created by admin on Sat Dec 16 14:36:27 GMT 2023 , Edited by admin on Sat Dec 16 14:36:27 GMT 2023

PRIMARY

PUBCHEM

71748925

Created by admin on Sat Dec 16 14:36:27 GMT 2023 , Edited by admin on Sat Dec 16 14:36:27 GMT 2023

PRIMARY

Related Record Type Details


					46M3EV8HHE

DIENOGEST

PARENT -> METABOLITE