Chlorohyssopifolin B

(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

Also Known As: Chlorohyssopifolin B|KST-1A4975|(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one|(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one|Azuleno[4,5-b]furan-2(3H)-one,9-(chloromethyl)decahydro-4,8,9-trihydroxy-3,6-bis(methylene)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-|Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6-bis(methylene)-9-(chloromethyl)-4,8,9-trihydroxy-, (3aR-(3a-alpha,4-alpha,6a-alpha,8-beta,9-alpha,9a-alpha,9b-beta))-|9-(Chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one|(3aR)-3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Decahydro-9-(chloromethyl)-4beta,8alpha,9beta-trihydroxy-3,6-bis(methylene)azuleno[4,5-b]furan-2(3H)-one|(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-2-one|(3AR,4S,6AR,8S,9S,9AS,9BS)-9-(CHLOROMETHYL)-4,8,9-TRIHYDROXY-3,6-DIMETHYLIDENE-DODECAHYDROAZULENO[4,5-B]FURAN-2-ONE

Molecular Formula	C15H19ClO5
Molecular Weight	314.0921 g/mol
LogP	0.1
Topological Polar Surface Area	87.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	314.0921
Monoisotopic Mass	314.0921
Heavy Atoms	21
Complexity	518.0

Chemical Identifiers

CAS Number	4775-93-3
SMILES	C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]([C@@]3(CCl)O)O)OC(=O)C2=C)O
InChIKey	YIFQICREHIVCKL-YWDFAVMRSA-N