U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

SMILES

[H][C@@]12C[C@@H](OC(C)=O)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

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

Approval Year

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.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
133083004
Created by admin on Fri Dec 15 15:08:06 GMT 2023 , Edited by admin on Fri Dec 15 15:08:06 GMT 2023
PRIMARY
FDA UNII
AP6Z7S65IW
Created by admin on Fri Dec 15 15:08:06 GMT 2023 , Edited by admin on Fri Dec 15 15:08:06 GMT 2023
PRIMARY
CAS
22199-85-5
Created by admin on Fri Dec 15 15:08:06 GMT 2023 , Edited by admin on Fri Dec 15 15:08:06 GMT 2023
PRIMARY