Chlorohyssopifolin A

[(3aR,4S,6aR,8S,9S,9aS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2R)-3-chloro-2-hydroxy-2-methylpropanoate

Also Known As: Centaurepensin|Hyrcanin|Chlorohyssopifolin A|Chlorohyssopiflobin A|KST-1A6569|(3ar,4s,6ar,8s,9s,9as)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl(2r)-3-chloro-2-hydroxy-2-methylpropanoate|Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3a-alpha,4-alpha(S*),6a-alpha,8-beta,9-alpha,9a-alpha,9b-beta))-|((3aR,4S,6aR,8S,9S,9aS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-4-yl) (2R)-3-chloro-2-hydroxy-2-methylpropanoate|[(3aR,4S,6aR,8S,9S,9aS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2R)-3-chloro-2-hydroxy-2-methylpropanoate|Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-[3a.alpha.,4.alpha.(S*),6a.alpha.,8.beta.,9.alpha.,9a.alpha.,9b.beta.]]-

Molecular Formula	C19H24Cl2O7
Molecular Weight	434.0899 g/mol
LogP	0.91
Topological Polar Surface Area	113.29 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	434.0899
Heavy Atoms	28
Complexity	721.1

Chemical Identifiers

CAS Number	37006-36-3
SMILES	C[C@](CCl)(C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2C3[C@@H]1C(=C)C(=O)O3)(CCl)O)O)O