Florigrandin

[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate

Also Known As: Florigrandin|KST-1A5881|(3r,3as,4as,7s,7as,8r,9ar)-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate|(R)-2-Methyl-butyric acid (3R,3aS,4aS,7S,7aS,8R,9aR)-3-hydroxy-3-hydroxymethyl-4a,8-dimethyl-2,5-dioxo-dodecahydro-azuleno[6,5-b]furan-7-yl ester|[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate|3-Hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate|Butanoic acid, 2-methyl-, dodecahydro-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxoazuleno(6,5-b)furan-7-yl ester, (3R-(3alpha,3abeta,4aalpha,7beta(R*),7abeta,8beta,9abeta))-

Molecular Formula	C20H30O7
Molecular Weight	382.19916 g/mol
LogP	2.0
Topological Polar Surface Area	110.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	382.19916
Monoisotopic Mass	382.19916
Heavy Atoms	27
Complexity	646.0

Chemical Identifiers

CAS Number	5458-35-5
SMILES	CCC(C)C(=O)O[C@H]1CC(=O)[C@@]2([C@@H]1[C@@H](C[C@@H]3[C@H](C2)[C@](C(=O)O3)(CO)O)C)C
InChIKey	SMAJXKLVHWNBRU-QTTWJULZSA-N