17-Hydroxypregna-1,4-diene-3,20-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O3
Molecular Weight	328.4452
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17-Hydroxypregna-1,4-diene-3,20-dione

Structure Search

SMILES

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=JQVUIHNKYYECGH-CEGNMAFCSA-N

InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h6,9,12,16-18,24H,4-5,7-8,10-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O3
Molecular Weight	328.4452
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:39:52 GMT 2025` Edited by `admin` on `Mon Mar 31 23:39:52 GMT 2025`
Record UNII	GR8RA8HG6R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-9786

Preferred Name

English

17-Hydroxypregna-1,4-diene-3,20-dione

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 17-hydroxy-

Systematic Name

English

Code System Code Type Description

NSC

9786