21-HYDROXYPREGNENOLONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O3
Molecular Weight	332.477
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=MOIQRAOBRXUWGN-WPWXJNKXSA-N

InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O3
Molecular Weight	332.477
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
A paradox: elevated 21-hydroxypregnenolone production in newborns with 21-hydroxylase deficiency.	1987 Apr-May	3502660

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:50 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:50 GMT 2023`
Record UNII	A1L3K6161X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-HYDROXYPREGNENOLONE

Common Name

English

NSC-60793

Code

English

PREGN-5-EN-20-ONE, 3,21-DIHYDROXY-, (3.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

1164-98-3