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 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 19-NORETIOCHOLANOLONE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H](O)CC[C@]34[H]

InChI

InChIKey=UOUIARGWRPHDBX-DHMVHTBWSA-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/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H28O2
Molecular Weight 276.4137
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:13 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:13 GMT 2023
Record UNII
O5Z6602I6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
19-NORETIOCHOLANOLONE
Common Name English
3.ALPHA.-HYDROXY-5.BETA.-ESTRAN-17-ONE
Systematic Name English
ESTRAN-17-ONE, 3-HYDROXY-, (3.ALPHA.,5.BETA.)-
Systematic Name English
5.BETA.-ESTRAN-3.ALPHA.-OL-17-ONE
Systematic Name English
19-NORETIOCHOLAN-3.ALPHA.-OL-17-ONE
Systematic Name English
(3.ALPHA.,5.BETA.)-3-HYDROXYESTRAN-17-ONE
Systematic Name English
Code System Code Type Description
CHEBI
36412
Created by admin on Sat Dec 16 10:37:13 GMT 2023 , Edited by admin on Sat Dec 16 10:37:13 GMT 2023
PRIMARY
PUBCHEM
14009228
Created by admin on Sat Dec 16 10:37:13 GMT 2023 , Edited by admin on Sat Dec 16 10:37:13 GMT 2023
PRIMARY
CAS
33036-33-8
Created by admin on Sat Dec 16 10:37:13 GMT 2023 , Edited by admin on Sat Dec 16 10:37:13 GMT 2023
PRIMARY
FDA UNII
O5Z6602I6U
Created by admin on Sat Dec 16 10:37:13 GMT 2023 , Edited by admin on Sat Dec 16 10:37:13 GMT 2023
PRIMARY
WIKIPEDIA
19-Noretiocholanolone
Created by admin on Sat Dec 16 10:37:13 GMT 2023 , Edited by admin on Sat Dec 16 10:37:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID601043346
Created by admin on Sat Dec 16 10:37:13 GMT 2023 , Edited by admin on Sat Dec 16 10:37:13 GMT 2023
PRIMARY