3BETA-HYDROXYPREGNA-5,17(20)-DIENE-16-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O2
Molecular Weight	314.4617
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3BETA-HYDROXYPREGNA-5,17(20)-DIENE-16-ONE

Structure Search

SMILES

[H][C@@]12CC(=O)\C(=C/C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@@H](O)CC[C@]34C

InChI

InChIKey=VKCBWKQXIOUPPP-OTJNBBMTSA-N

InChI=1S/C21H30O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4-5,14-15,17-18,22H,6-12H2,1-3H3/b16-4+/t14-,15+,17-,18-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O2
Molecular Weight	314.4617
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:12:51 GMT 2023` Edited by `admin` on `Sat Dec 16 10:12:51 GMT 2023`
Record UNII	Q7U5SY5QN4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3BETA-HYDROXYPREGNA-5,17(20)-DIENE-16-ONE

Common Name

English

5,17(20)-PREGNADIEN-3.BETA.-OL-16-ONE, CIS

Common Name

English

(3S,8R,9S,10R,13S,14S,17Z)-17-ETHYLIDENE-3-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-16-ONE

Systematic Name

English

PREGNA-5,17(20)-DIEN-16-ONE, 3.BETA.-HYDROXY-, (Z)-

Systematic Name

English

PREGNA-5,17(20)-DIEN-16-ONE, 3-HYDROXY-, (3.BETA.,17Z)-

Systematic Name

English

Code System Code Type Description

FDA UNII

Q7U5SY5QN4

Created by admin on Sat Dec 16 10:12:51 GMT 2023 , Edited by admin on Sat Dec 16 10:12:51 GMT 2023

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CAS

17401-12-6

Created by admin on Sat Dec 16 10:12:51 GMT 2023 , Edited by admin on Sat Dec 16 10:12:51 GMT 2023

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PUBCHEM

15871913

Created by admin on Sat Dec 16 10:12:51 GMT 2023 , Edited by admin on Sat Dec 16 10:12:51 GMT 2023

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