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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H50O8
Molecular Weight 574.7453
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGITOGENIN TRIDIACETATE

SMILES

C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](OC(C)=O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)[C@@H](C[C@]6(C)[C@H]5CC[C@]24C)OC(C)=O

InChI

InChIKey=RGTOHBSNLAAESE-STTSWXODSA-N
InChI=1S/C33H50O8/c1-17-10-13-33(37-16-17)18(2)27-30(41-33)29(40-21(5)36)28-23-9-8-22-14-25(38-19(3)34)26(39-20(4)35)15-32(22,7)24(23)11-12-31(27,28)6/h17-18,22-30H,8-16H2,1-7H3/t17-,18+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIGITOGENIN TRIDIACETATE
MI  
Common Name English
DIGITOGENIN TRIDIACETATE [MI]
Preferred Name English
SPIROSTAN-2,3,15-TRIOL, 2,3,15-TRIACETATE, (2.ALPHA.,3.BETA.,5.ALPHA.,15.BETA.,25R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73425512
Created by admin on Mon Mar 31 23:01:54 GMT 2025 , Edited by admin on Mon Mar 31 23:01:54 GMT 2025
PRIMARY
CAS
881179-88-0
Created by admin on Mon Mar 31 23:01:54 GMT 2025 , Edited by admin on Mon Mar 31 23:01:54 GMT 2025
PRIMARY
FDA UNII
3K30HMI0LW
Created by admin on Mon Mar 31 23:01:54 GMT 2025 , Edited by admin on Mon Mar 31 23:01:54 GMT 2025
PRIMARY