(9?,11?)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O6
Molecular Weight	400.4648
Optical Activity	( + )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (9?,11?)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione

Structure Search

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C

InChI

InChIKey=DBNHODAAFAHQNY-WWUWEVONSA-N

InChI=1S/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3/t16-,17-,19-,20-,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O6
Molecular Weight	400.4648
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:38:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:38:11 GMT 2025`
Record UNII	85PMV8F52D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

9BETA,11BETA-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE

Preferred Name

English

(9?,11?)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9?,11?)-

Systematic Name

English

9?-Pregna-1,4-diene-3,20-dione, 9,11?-epoxy-17,21-dihydroxy-, 21-acetate

Systematic Name

English

Code System Code Type Description

SMS_ID

300000052901