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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O2
Molecular Weight 320.5093
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URANEDIOL

SMILES

C[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O

InChI

InChIKey=HUPSBBUECCCNKS-NHJCDZISSA-N
InChI=1S/C21H36O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16+,17+,18+,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H36O2
Molecular Weight 320.5093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:48:55 GMT 2025
Edited
by admin
on Mon Mar 31 22:48:55 GMT 2025
Record UNII
P87KZC0P5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
URANDIOL
Preferred Name English
URANEDIOL
MI  
Common Name English
URANEDIOL [MI]
Common Name English
1,8-CHRYSENEDIOL, OCTADECAHYDRO-2,10A,12A-TRIMETHYL-, (1S,2R,4AS,4BR,6AS,8S,10AS,10BS,12AS)-
Systematic Name English
(1S,2R,4AS,4BR,6AS,8S,10AS,10BS,12AS)-OCTADECAHYDRO-2,10A,12A-TRIMETHYL-1,8-CHRYSENEDIOL
Systematic Name English
Code System Code Type Description
FDA UNII
P87KZC0P5T
Created by admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID801123875
Created by admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
PRIMARY
CAS
516-51-8
Created by admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
PRIMARY
PUBCHEM
12444605
Created by admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
PRIMARY
MERCK INDEX
m11308
Created by admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
PRIMARY Merck Index