Structure

Lanatoside C

CAS
17575-22-3
Catalog Number
ACM17575223
Category
Inhibitors
Molecular Weight
985.1
Molecular Formula
C49H76O20

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Specification

Description
Lanatoside C is a cardiac glycoside, can be used in the treatment of congestive heart failure and cardiac arrhythmia.Lanatoside C has an IC50 of 0.19 μM for dengue virus infection in HuH-7 cells. Lanatoside C can effectively inhibit all four serotypes of dengue virus, flavivirus Kunjin, alphavirus Chikungunya, Sindbis virus and the human enterovirus 71.
Synonyms
LANATOSIDE C;20(22),5BETA-CARDENOLID-3BETA,12BETA,14BETA-TRIOL 3BETA-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-[3-O-ACETYLDIGITOXOPYRANOSYL]-(1->4)-O-BETA-D-DIGITOXOPYRANOSIDE-(1->4)-O-BETA-D-DIGITOXOPYRANOSIDE;cedilanid;digilanidc;digilanidec;isolanid;isolanide;LANATOSIDE C 97%
IUPAC Name
[6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
InChI
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
InChI Key
JAYAGJDXJIDEKI-UHFFFAOYSA-N
Melting Point
272-274°C
Density
1.42±0.1 g/cm³ (20 ºC 760 Torr)
Appearance
White powder
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Hazard Statements
T
Safety Description
36/37/39-45
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
Plantsother families
Supplemental Hazard Statements
H301
Symbol
GHS06
What is the PubChem CID of lanatoside C?

The PubChem CID of lanatoside C is 656630.

What is the molecular formula of lanatoside C?

The molecular formula of lanatoside C is C49H76O20.

What is the molecular weight of lanatoside C?

The molecular weight of lanatoside C is 985.1 g/mol.

What are some synonyms for lanatoside C?

Some synonyms for lanatoside C are lanatoside C, Isolanid, Cedilanid, and Celadigal.

What is the IUPAC name of lanatoside C?

The IUPAC name of lanatoside C is [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate.

What is the InChI of lanatoside C?

The InChI of lanatoside C is 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.

What is the InChIKey of lanatoside C?

The InChIKey of lanatoside C is JAYAGJDXJIDEKI-PTGWOZRBSA-N.

What is the canonical SMILES of lanatoside C?

The canonical SMILES of lanatoside C is CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O.

What is the CAS number of lanatoside C?

The CAS number of lanatoside C is 17575-22-3.

What is the ChEMBL ID of lanatoside C?

The ChEMBL ID of lanatoside C is CHEMBL506569.

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