Leonotinin

(1R,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8-dimethylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-10,2'-oxirane]-3-one

Also Known As: Leonotinin|Epoxyleonotin|rel-(2aR,5aR,6R,7S,8aS,8bS)-6-[2-(3-furyl)ethyl]-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro[naphtho[1,8-bc]furan-7,2'-oxiran]-2-one|spiro[2H-naphtho[1,8-bc]furan-7(3H),2'-oxiran]-2-one, 6-[2-(3-furanyl)ethyl]octahydro-6-hydroxy-2a,5a-dimethyl-, (2aS,5aS,6S,7R,8aR,8bR)-|(8R)-19-Oxo-6beta,19:8,17:15,16-triepoxylabda-13(16),14-diene-9-ol|(1'S,2R,4'R,7'S,8'S,12'R)-7'-[2-(furan-3-yl)ethyl]-7'-hydroxy-1',8'-dimethyl-3'-oxaspiro[oxirane-2,6'-tricyclo[6.3.1.04,12]dodecan]-2'-one|(1R,4S,8S,9S,10R,12R)-9-(2-(furan-3-yl)ethyl)-9-hydroxy-4,8-dimethylspiro(2-oxatricyclo(6.3.1.04,12)dodecane-10,2'-oxirane)-3-one|(1R,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8-dimethylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-10,2'-oxirane]-3-one|(2'R,2aS,5aS,6S,8aR,8bR)-6-[2-(Furan-3-yl)ethyl]-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro[naphtho[1,8-bc]furan-7,2'-oxiran]-2-one|(2aS,7R,8aalpha,8balpha)-Octahydro-6-[2-(3-furyl)ethyl]-6alpha-hydroxy-2a,5abeta-dimethylspiro[2H-naphtho[1,8-bc]furan-7(8H),2 -oxirane]-2-one|rel-(2aR,5aR,6R,7S,8aS,8bS)-6-(2-(3-furyl)ethyl)-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro(naphtho(1,8-bc)furan-7,2'-oxiran)-2-one|spiro(2H-naphtho(1,8-bc)furan-7(3H),2'-oxiran)-2-one, 6-(2-(3-furanyl)ethyl)octahydro-6-hydroxy-2a,5a-dimethyl-, (2aS,5aS,6S,7R,8aR,8bR)-

Molecular Formula	C20H26O5
Molecular Weight	346.178 g/mol
LogP	2.4
Topological Polar Surface Area	72.2 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	346.178
Monoisotopic Mass	346.178
Heavy Atoms	25
Complexity	607.0

Chemical Identifiers

CAS Number	55784-80-0
SMILES	C[C@]12CCC[C@]3([C@H]1[C@@H](C[C@]4([C@@]3(CCC5=COC=C5)O)CO4)OC2=O)C
InChIKey	TYPXWADRUZBXSO-FHZWTMRJSA-N