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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40O4
Molecular Weight 404.5827
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URANEDIOL DIACETATE

SMILES

[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@@H](C)[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)OC(C)=O

InChI

InChIKey=DMFLSERLLXSZBK-XQYCUZGCSA-N
InChI=1S/C25H40O4/c1-15-6-9-21-20-8-7-18-14-19(28-16(2)26)10-12-24(18,4)22(20)11-13-25(21,5)23(15)29-17(3)27/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
URANEDIOL DIACETATE
MI  
Common Name English
URANEDIOL DIACETATE [MI]
Common Name English
1,8-CHRYSENEDIOL, OCTADECAHYDRO-2,10A,12A-TRIMETHYL-, DIACETATE, (1S,2R,4AS,4BR,6AS,8S,10AS,10BS,12AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
7B73M5IGVC
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY
PUBCHEM
90479488
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY
MERCK INDEX
m11308
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY Merck Index
CAS
4975-29-5
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY