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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O3
Molecular Weight 312.4028
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3?-Acetoxyestra-4,9,11-trien-17-one

SMILES

CC(=O)O[C@H]1CCC2=C3C=C[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCC2=C1

InChI

InChIKey=KEKFWCABIJCGLE-MKNHVETJSA-N
InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h9-11,14,17-18H,3-8H2,1-2H3/t14-,17+,18-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24O3
Molecular Weight 312.4028
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:52:54 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:54 GMT 2025
Record UNII
PN87Z3R4H5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3?-Acetoxyestra-4,9,11-trien-17-one
Systematic Name English
Estra-4,9,11-trien-17-one, 3-(acetyloxy)-, (3?)-
Preferred Name English
Code System Code Type Description
FDA UNII
PN87Z3R4H5
Created by admin on Wed Apr 02 20:52:54 GMT 2025 , Edited by admin on Wed Apr 02 20:52:54 GMT 2025
PRIMARY
CAS
30060-65-2
Created by admin on Wed Apr 02 20:52:54 GMT 2025 , Edited by admin on Wed Apr 02 20:52:54 GMT 2025
PRIMARY
Related Record Type Details
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