U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28O2
Molecular Weight 276.4137
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,17-DIHYDROXY-5-ESTRENE

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C[C@@H](O)CC4

InChI

InChIKey=IBHQSODTBQCZDA-MACGOEAWSA-N
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h12,14-17,19-20H,2-10H2,1H3/t12-,14+,15+,16-,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H28O2
Molecular Weight 276.4137
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:40 GMT 2023
Record UNII
4287V1Q45G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,17-DIHYDROXY-5-ESTRENE
Systematic Name English
ESTR-5(10)-ENE-3,17-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
9814177
Created by admin on Sat Dec 16 08:30:40 GMT 2023 , Edited by admin on Sat Dec 16 08:30:40 GMT 2023
PRIMARY
CAS
96744-97-7
Created by admin on Sat Dec 16 08:30:40 GMT 2023 , Edited by admin on Sat Dec 16 08:30:40 GMT 2023
PRIMARY
FDA UNII
4287V1Q45G
Created by admin on Sat Dec 16 08:30:40 GMT 2023 , Edited by admin on Sat Dec 16 08:30:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID20914332
Created by admin on Sat Dec 16 08:30:40 GMT 2023 , Edited by admin on Sat Dec 16 08:30:40 GMT 2023
PRIMARY