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Details

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

SHOW SMILES / InChI
Structure of 6,7-Dehydro prednisolone 21-acetate

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChIKey=HOYYRILTTRZHTJ-JZYPGELDSA-N
InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h4-6,8,10,16-18,20,26,28H,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Preferred Name English
6,7-Dehydro prednisolone 21-acetate
Common Name English
Pregna-1,4,6-triene-3,20-dione, 11?,17,21-trihydroxy-, 21-acetate
Systematic Name English
Pregna-1,4,6-triene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11?)-
Systematic Name English
Code System Code Type Description
FDA UNII
SK3PYA658V
Created by admin on Wed Apr 02 17:20:50 GMT 2025 , Edited by admin on Wed Apr 02 17:20:50 GMT 2025
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EPA CompTox
DTXSID60595068
Created by admin on Wed Apr 02 17:20:50 GMT 2025 , Edited by admin on Wed Apr 02 17:20:50 GMT 2025
PRIMARY
PUBCHEM
18594066
Created by admin on Wed Apr 02 17:20:50 GMT 2025 , Edited by admin on Wed Apr 02 17:20:50 GMT 2025
PRIMARY
CAS
2427-45-4
Created by admin on Wed Apr 02 17:20:50 GMT 2025 , Edited by admin on Wed Apr 02 17:20:50 GMT 2025
PRIMARY