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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H54O11
Molecular Weight 650.7967
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISDIGOXIGENIN

SMILES

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C3)O[C@@H]2C

InChI

InChIKey=NTSBMKIZRSBFTA-AIDOXSFESA-N
InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H54O11
Molecular Weight 650.7967
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:28:11 GMT 2025
Edited
by admin
on Wed Apr 02 10:28:11 GMT 2025
Record UNII
PPY8HS8NF3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGOXIGENIN BISDIGITOXOSIDE
Preferred Name English
BISDIGOXIGENIN
Common Name English
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-4-O-(2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.)-
Systematic Name English
DIGOXIGENIN, DIDIGITOXOSIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80967440
Created by admin on Wed Apr 02 10:28:11 GMT 2025 , Edited by admin on Wed Apr 02 10:28:11 GMT 2025
PRIMARY
PUBCHEM
92999
Created by admin on Wed Apr 02 10:28:11 GMT 2025 , Edited by admin on Wed Apr 02 10:28:11 GMT 2025
PRIMARY
FDA UNII
PPY8HS8NF3
Created by admin on Wed Apr 02 10:28:11 GMT 2025 , Edited by admin on Wed Apr 02 10:28:11 GMT 2025
PRIMARY
CAS
5297-05-2
Created by admin on Wed Apr 02 10:28:11 GMT 2025 , Edited by admin on Wed Apr 02 10:28:11 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY