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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

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

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

Molecular Formula C27H44O4
Molecular Weight 432.6359
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:23:59 GMT 2025
Edited
by admin
on Mon Mar 31 23:23:59 GMT 2025
Record UNII
YPX2I5J00S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGALOGENIN
MI  
Common Name English
DIGALOGENIN [MI]
Preferred Name English
SPIROSTAN-3,15-DIOL, (3.BETA.,5.ALPHA.,15.BETA.,25R)-
Systematic Name English
DIGALOGENINE
Common Name English
Code System Code Type Description
FDA UNII
YPX2I5J00S
Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025
PRIMARY
MERCK INDEX
m4443
Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025
PRIMARY Merck Index
PUBCHEM
20054897
Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025
PRIMARY
CAS
6877-35-6
Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID801024417
Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025
PRIMARY