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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O5
Molecular Weight 448.6353
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGITOGENIN

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)[C@H](O)C[C@]56C)[C@]4([H])[C@@H]2O

InChI

InChIKey=COVOPPXLDJVUSC-JPYPKGSXSA-N
InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Two new cardenolides from the roots of Streptocaulon griffithii.
2006 Oct-Nov
Patents

Patents

Name Type Language
DIGITOGENIN
MI  
Common Name English
DIGITOGENIN [MI]
Common Name English
SPIROSTAN-2,3,15-TRIOL, (2.ALPHA.,3.BETA.,5.ALPHA.,15.BETA.,25R)-
Systematic Name English
DIGITONIN AGLYCON
Common Name English
Code System Code Type Description
CAS
511-34-2
Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID10331655
Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023
PRIMARY
CHEBI
28431
Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023
PRIMARY
MERCK INDEX
m4449
Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023
PRIMARY Merck Index
PUBCHEM
441886
Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023
PRIMARY
FDA UNII
0KY44Q8S8O
Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023
PRIMARY