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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 of DIGOXOSIDE

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

Molecular Formula C47H74O17
Molecular Weight 911.0803
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 25 / 25
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:22:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:15 GMT 2023
Record UNII
5EJ5Y5DB53
Record Status Validated (UNII)
Record Version
  • Download
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
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CONSTITUENT ALWAYS PRESENT -> PARENT
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