9.ALPHA.-CHLORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIENE-3,20-DIONE 16,21-DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31ClO8
Molecular Weight	494.962
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9.ALPHA.-CHLORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIENE-3,20-DIONE 16,21-DIACETATE

Structure Search

SMILES

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

InChI

InChIKey=AZUDGWCGUPYROA-RBWIMXSLSA-N

InChI=1S/C25H31ClO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H31ClO8
Molecular Weight	494.962
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:47:36 GMT 2025` Edited by `admin` on `Mon Mar 31 17:47:36 GMT 2025`
Record UNII	AP6Z7S65IW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9.ALPHA.-CHLORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIENE-3,20-DIONE 16,21-DIACETATE

Systematic Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 16,21-BIS(ACETYLOXY)-9-CHLORO-11,17-DIHYDROXY-, (11.BETA.,16.ALPHA.)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

133083004

Created by admin on Mon Mar 31 17:47:36 GMT 2025 , Edited by admin on Mon Mar 31 17:47:36 GMT 2025

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FDA UNII

AP6Z7S65IW

Created by admin on Mon Mar 31 17:47:36 GMT 2025 , Edited by admin on Mon Mar 31 17:47:36 GMT 2025

PRIMARY

CAS

22199-85-5

Created by admin on Mon Mar 31 17:47:36 GMT 2025 , Edited by admin on Mon Mar 31 17:47:36 GMT 2025

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