Gradolide

[(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

Also Known As: Gradolide|Taroide|[(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate|(3s)-3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-octahydro-6alpha-hydroxy-3,6,9-trimethyl-3beta,4beta-bis[[(z)-2-methyl-1-oxo-2-butenyl]oxy]azuleno[4,5-b]furan-2(3h)-one|(3S,3AR,4S,6S,6AS,9AS,9BS)-6-HYDROXY-3,6,9-TRIMETHYL-3-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-2-OXO-2H,3H,3AH,4H,5H,6H,6AH,7H,9AH,9BH-AZULENO[4,5-B]FURAN-4-YL (2Z)-2-METHYLBUT-2-ENOATE|(Z)-2-Methyl-2-butenoic acid [(3S)-3beta-[(Z)-2-methyl-2-butenoyloxy]-2,3,3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-decahydro-6alpha-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-4beta-yl] ester|2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno(4,5-b)furan-3,4-diyl ester, (2Z,2'Z)-|2-Butenoic acid, 2-methyl-, 1,1a(2)-[(3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3,4-diyl] ester

Molecular Formula	C25H34O7
Molecular Weight	446.23044 g/mol
LogP	3.4112
Topological Polar Surface Area	99.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	446.23044
Monoisotopic Mass	446.23044
Heavy Atoms	32
Complexity	909.2512

Chemical Identifiers

CAS Number	68852-48-2
SMILES	C/C=C(/C)\C(=O)O[C@H]1C[C@]([C@H]2CC=C([C@H]2[C@H]3[C@@H]1[C@](C(=O)O3)(C)OC(=O)/C(=C\C)/C)C)(C)O