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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H76O20
Molecular Weight 985.1157
Optical Activity UNSPECIFIED
Defined Stereocenters 26 / 26
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LANATOSIDE C

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](OC(C)=O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=JAYAGJDXJIDEKI-PTGWOZRBSA-N
InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1

HIDE SMILES / InChI

Molecular Formula C49H76O20
Molecular Weight 985.1157
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 26 / 26
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Lanatoside C (or isolanid) is a cardiac glycoside, a type of drug that can be used in the treatment of heart disease. Digitalis lanata is a significant medicinal plant as a source of this compound. Lanatoside C is marketed in a number of countries and it’s also available in generic form. It can be transformed into digoxin by deglucolysation.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
5RR3JFZ771
Record Status Validated (UNII)
Record Version