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

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

[H][C@@]1(C[C@H](O)[C@H](O)[C@@H](C)O1)O[C@H]2CC[C@@]3(C)[C@]([H])(CC[C@]4([H])[C@]3([H])C[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

Approval Year

Name Type Language
3.BETA.-(2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYLOXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
Systematic Name English
DIGOXIN IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
93001
Created by admin on Sat Dec 16 14:10:08 GMT 2023 , Edited by admin on Sat Dec 16 14:10:08 GMT 2023
PRIMARY
FDA UNII
TP62PJG6J3
Created by admin on Sat Dec 16 14:10:08 GMT 2023 , Edited by admin on Sat Dec 16 14:10:08 GMT 2023
PRIMARY