Endosidin1

[(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

Also Known As: Prieurianin|Endosidin1|Endosidin 1|[(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate|A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-21,23-epoxy-11-(formyloxy)-14-hydroxy-12-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)-

Molecular Formula	C38H50O16
Molecular Weight	762.3099 g/mol
LogP	2.51
Topological Polar Surface Area	228.47 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	16
Rotatable Bonds	13
Exact Mass	762.3099
Heavy Atoms	54
Complexity	1651.3

Chemical Identifiers

CAS Number	57672-91-0
SMILES	CC[C@@H](C)[C@H](C(=O)O[C@H]1[C@@H]([C@H](C(=C)[C@@]2([C@@]1([C@H](CC2=O)C3=COC=C3)C)O)[C@@]4([C@H](CC(=O)O[C@]([C@@H]4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O