DIGOXOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H74O17
Molecular Weight	911.0803
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O[C@@]4([H])C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]5CC[C@@]6(C)[C@]([H])(CC[C@]7([H])[C@]6([H])C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5

InChI

InChIKey=RDWJFVWFSYHOTB-YQIAHCFOSA-N

InChI=1S/C47H74O17/c1-21-41(54)31(48)16-38(57-21)62-43-23(3)59-40(18-33(43)50)64-44-24(4)60-39(19-34(44)51)63-42-22(2)58-37(17-32(42)49)61-27-9-11-45(5)26(14-27)7-8-29-30(45)15-35(52)46(6)28(10-12-47(29,46)55)25-13-36(53)56-20-25/h13,21-24,26-35,37-44,48-52,54-55H,7-12,14-20H2,1-6H3/t21-,22-,23-,24-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

DIGOXOSIDE

Common Name

English

CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12

Systematic Name

English

DIGOXIGENIN TETRAKISDIGITOXOSIDE

Common Name

English

Code System Code Type Description

FDA UNII

5EJ5Y5DB53

Created by admin on Sat Dec 16 18:22:15 GMT 2023 , Edited by admin on Sat Dec 16 18:22:15 GMT 2023

PRIMARY

PUBCHEM

102093783

Created by admin on Sat Dec 16 18:22:15 GMT 2023 , Edited by admin on Sat Dec 16 18:22:15 GMT 2023

PRIMARY

CAS

31539-05-6

Created by admin on Sat Dec 16 18:22:15 GMT 2023 , Edited by admin on Sat Dec 16 18:22:15 GMT 2023

PRIMARY

EPA CompTox

DTXSID101318540

Created by admin on Sat Dec 16 18:22:15 GMT 2023 , Edited by admin on Sat Dec 16 18:22:15 GMT 2023

PRIMARY

SUBSTANCE RECORD


					5EJ5Y5DB53

DIGOXOSIDE