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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H46O4
Molecular Weight 458.6731
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one, (7?,17?)-

SMILES

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

InChI

InChIKey=GRPRLSJDURTSPV-OMQCHTGPSA-N
InChI=1S/C29H46O4/c1-20(31)33-27-14-13-26-28-21(10-8-6-4-3-5-7-9-17-30)18-22-19-23(32)11-12-24(22)25(28)15-16-29(26,27)2/h19,21,24-28,30H,3-18H2,1-2H3/t21-,24+,25-,26+,27+,28-,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(7?,17?)-17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one
Preferred Name English
17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one, (7?,17?)-
Systematic Name English
Estr-4-en-3-one, 17-(acetyloxy)-7-(9-hydroxynonyl)-, (7?,17?)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901198837
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY
CAS
875573-64-1
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY
PUBCHEM
165354464
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY
FDA UNII
DZ4ZMD4SNX
Created by admin on Wed Apr 02 17:31:15 GMT 2025 , Edited by admin on Wed Apr 02 17:31:15 GMT 2025
PRIMARY