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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H48O7
Molecular Weight 532.7086
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGITOGENIN 2,3-DIACETATE

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

InChI

InChIKey=GUQPAKGHLKIJPB-RFIOMHOHSA-N
InChI=1S/C31H48O7/c1-16-9-12-31(35-15-16)17(2)25-28(38-31)27(34)26-21-8-7-20-13-23(36-18(3)32)24(37-19(4)33)14-30(20,6)22(21)10-11-29(25,26)5/h16-17,20-28,34H,7-15H2,1-6H3/t16-,17+,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIGITOGENIN 2,3-DIACETATE
MI  
Common Name English
DIGITOGENIN 2,3-DIACETATE [MI]
Common Name English
SPIROSTAN-2,3,15-TRIOL, 2,3-DIACETATE, (2.ALPHA.,3.BETA.,5.ALPHA.,15.BETA.,25R)-
Systematic Name English
Code System Code Type Description
CAS
51478-16-1
Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023
PRIMARY
MERCK INDEX
m4449
Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023
PRIMARY Merck Index
FDA UNII
6U0VGN877K
Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023
PRIMARY
PUBCHEM
73425444
Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023
PRIMARY