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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O3
Molecular Weight 286.3655
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Dihydroxy-estra-1,3,5(10)-trien-17-one

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC(O)=C34)[C@@H]1CCC2=O

InChI

InChIKey=FDTPYROSMUKXFK-COJSNBRMSA-N
InChI=1S/C18H22O3/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(19)9-15(20)17(10)13/h8-9,12-14,19-20H,2-7H2,1H3/t12-,13+,14+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O3
Molecular Weight 286.3655
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 Mon Mar 31 22:52:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:52:53 GMT 2025
Record UNII
HQ5YBA399G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Dihydroxy-estra-1,3,5(10)-trien-17-one
Common Name English
1-Hydroxyestrone
Preferred Name English
Estra-1,3,5(10)-trien-17-one, 1,3-dihydroxy-
Common Name English
(8R,9S,13S,14S)-1,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60976434
Created by admin on Mon Mar 31 22:52:53 GMT 2025 , Edited by admin on Mon Mar 31 22:52:53 GMT 2025
PRIMARY
CAS
60966-54-3
Created by admin on Mon Mar 31 22:52:53 GMT 2025 , Edited by admin on Mon Mar 31 22:52:53 GMT 2025
PRIMARY
FDA UNII
HQ5YBA399G
Created by admin on Mon Mar 31 22:52:53 GMT 2025 , Edited by admin on Mon Mar 31 22:52:53 GMT 2025
PRIMARY
PUBCHEM
21724860
Created by admin on Mon Mar 31 22:52:53 GMT 2025 , Edited by admin on Mon Mar 31 22:52:53 GMT 2025
PRIMARY