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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H44O8
Molecular Weight 520.6549
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-(2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYLOXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE

SMILES

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2

InChI

InChIKey=JFSXBMIFXZFKHD-ZDDLGXCGSA-N
InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H44O8
Molecular Weight 520.6549
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 Tue Apr 01 22:25:51 GMT 2025
Edited
by admin
on Tue Apr 01 22:25:51 GMT 2025
Record UNII
TP62PJG6J3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGOXIN IMPURITY D [EP IMPURITY]
Preferred Name English
3.BETA.-(2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYLOXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
93001
Created by admin on Tue Apr 01 22:25:51 GMT 2025 , Edited by admin on Tue Apr 01 22:25:51 GMT 2025
PRIMARY
FDA UNII
TP62PJG6J3
Created by admin on Tue Apr 01 22:25:51 GMT 2025 , Edited by admin on Tue Apr 01 22:25:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY