Vernodalol

[(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate

Also Known As: Vernodalol|vern|Vernodalol, >=95% (LC/MS-ELSD)|SID:521251128|[(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate|((4aR,5R,6S,7S,8aR)-5-hydroxy-6-(1-methoxycarbonylvinyl)-4-methylene-3-oxo-8a-vinyl-1,4a,5,6,7,8-hexahydroisochromen-7-yl) 2-(hydroxymethyl)prop-2-enoate|((4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl) 2-(hydroxymethyl)prop-2-enoate|(4aR)-3,4,4abeta,5,6,7,8,8a-Octahydro-8abeta-vinyl-5beta-hydroxy-7beta-[(2-hydroxymethyl-1-oxo-2-propenyl)oxy]-alpha,4-bis(methylene)-3-oxo-1H-2-benzopyran-6alpha-acetic acid methyl ester|(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-octahydro-1H-2-benzopyran-7-yl 2-(hydroxymethyl)prop-2-enoate|(4aR,5R,6S,7S,8aR)-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;[4aR-(4aa,5a,6ss,7a,8aa)]-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;|[(4aR,5R,6S,7S,8aR)-5-hydroxy-6-(1-methoxycarbonylvinyl)-4-methylene-3-oxo-8a-vinyl-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate|Methyl 2-[(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-7-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-4-methylidene-3-oxooctahydro-1H-2-benzopyran-6-yl]prop-2-enoate

Molecular Formula	C20H24O8
Molecular Weight	392.14713 g/mol
LogP	1.2
Topological Polar Surface Area	119.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	392.14713
Monoisotopic Mass	392.14713
Heavy Atoms	28
Complexity	751.0

Chemical Identifiers

CAS Number	65388-17-2
SMILES	COC(=O)C(=C)[C@@H]1[C@H](C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C)OC(=O)C(=C)CO
InChIKey	FZALQGCQQJLGKE-BBNZOYGDSA-N