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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O4
Molecular Weight 432.6359
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGALOGENIN

SMILES

[H][C@@]12O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@]1([H])[C@@]4(C)CC[C@@]5([H])[C@@]([H])(CC[C@@]6([H])C[C@@H](O)CC[C@]56C)[C@]4([H])[C@@H]2O

InChI

InChIKey=DTLPXUYYRJZGLM-VCUHZSQTSA-N
InChI=1S/C27H44O4/c1-15-7-12-27(30-14-15)16(2)21-24(31-27)23(29)22-19-6-5-17-13-18(28)8-10-25(17,3)20(19)9-11-26(21,22)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIGALOGENIN
MI  
Common Name English
SPIROSTAN-3,15-DIOL, (3.BETA.,5.ALPHA.,15.BETA.,25R)-
Systematic Name English
DIGALOGENIN [MI]
Common Name English
DIGALOGENINE
Common Name English
Code System Code Type Description
FDA UNII
YPX2I5J00S
Created by admin on Sat Dec 16 10:41:49 GMT 2023 , Edited by admin on Sat Dec 16 10:41:49 GMT 2023
PRIMARY
MERCK INDEX
m4443
Created by admin on Sat Dec 16 10:41:49 GMT 2023 , Edited by admin on Sat Dec 16 10:41:49 GMT 2023
PRIMARY Merck Index
PUBCHEM
20054897
Created by admin on Sat Dec 16 10:41:49 GMT 2023 , Edited by admin on Sat Dec 16 10:41:49 GMT 2023
PRIMARY
CAS
6877-35-6
Created by admin on Sat Dec 16 10:41:49 GMT 2023 , Edited by admin on Sat Dec 16 10:41:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID801024417
Created by admin on Sat Dec 16 10:41:49 GMT 2023 , Edited by admin on Sat Dec 16 10:41:49 GMT 2023
PRIMARY