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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O2
Molecular Weight 310.4299
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (17?)-17-Hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one

SMILES

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C

InChI

InChIKey=UBLKQAIAGHSEHR-ANULTFPQSA-N
InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h13,18-19,23H,4-9,11-12H2,1-2H3/t18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26O2
Molecular Weight 310.4299
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 10:43:24 GMT 2025
Edited
by admin
on Wed Apr 02 10:43:24 GMT 2025
Record UNII
H2YL7BN3AK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RU-39628
Preferred Name English
(17?)-17-Hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one
Systematic Name English
Estra-4,9-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, (17?)-
Systematic Name English
Code System Code Type Description
FDA UNII
H2YL7BN3AK
Created by admin on Wed Apr 02 10:43:24 GMT 2025 , Edited by admin on Wed Apr 02 10:43:24 GMT 2025
PRIMARY
PUBCHEM
66934217
Created by admin on Wed Apr 02 10:43:24 GMT 2025 , Edited by admin on Wed Apr 02 10:43:24 GMT 2025
PRIMARY
CAS
139113-48-7
Created by admin on Wed Apr 02 10:43:24 GMT 2025 , Edited by admin on Wed Apr 02 10:43:24 GMT 2025
PRIMARY