(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate

Catalog No. :: ACDNDL923
CAS No. :: 465-13-4
Molecular Formula :: C32H48O10
Molecular Weight :: 592.73

IUPAC Name:(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate

(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate structure diagram

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Product Information

Product Name	(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate
IUPAC Name	(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate
Molecular Formula	C32H48O10
Molecular Weight	592.73
SMILES	CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O
InChI Key	UZQOZJNEDXAJEZ-VZJXLKLWSA-N
Synonym	neritaloside;Card-20(22)-enolide, 16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)-
CAS No.	465-13-4

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ACDNDL923465-13-4

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ACDNDL923465-13-4

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(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate

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1. ACDNDL923 Molecular Building Block Synthetic Route

2. ACDNDL923 Molecular Building Block Synthetic Route

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(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate

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Synthetic Route by SureRoute

Lanatoside E

(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-Hydroxy-3-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate

gitaloxin

4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-3-(((2R,4S,5R,6R)-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

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