Mono-O-acetylvallaroside

[(2R,3R,4S,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-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-methoxy-6-methyloxan-3-yl] acetate

Also Known As: Mono-O-acetylvallaroside|Vallaroside, mono-O-acetyl-|Vallaroside, 2'-acetate|Vallaroside2 -acetate|Mono-O-acetyl vallaroside|3beta-[(2-O-Acetyl-6-deoxy-3-O-methyl-alpha-L-altropyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide|3-((2-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide|3-[(2-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|(2R,3R,4S,5S,6S)-2-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate|[(2R,3R,4S,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-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-methoxy-6-methyloxan-3-yl] acetate|3beta-[(6-Deoxy-2-O-acetyl-3-O-methyl-alpha-L-altropyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide

Molecular Formula	C32H48O9
Molecular Weight	576.32983 g/mol
LogP	2.7
Topological Polar Surface Area	121.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	576.32983
Monoisotopic Mass	576.32983
Heavy Atoms	41
Complexity	1080.0

Chemical Identifiers

CAS Number	4356-53-0
SMILES	C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
InChIKey	UYQMTWMXBKEHJQ-CNJUQUCXSA-N