Isotenulin

[(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate

Also Known As: Isotenulin|Homohalichondrin B|KST-1A0340|(3r,3ar,4r,4ar,8r,9as)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate|[(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate|Ambros-2-en-12-oic acid, 6beta,8alpha-dihydroxy-4-oxo-, 12,8-lactone, acetate, (11R)-|Ambros-2-en-12-oic acid, 6.beta.,8.alpha.-dihydroxy-4-oxo-, 12,8-lactone, acetate, (11R)-|Ambros-2-en-12-oic acid, 6beta,8alpha-dihydroxy-4-oxo-, 12,8-lactone, acetate, (11R)- (8CI)|Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R-(3alpha,3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-|Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R,3aR,4R,4aR,7aR,8R,9aS)-|Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, [3R-(3.alpha.,3a.alpha.,4.beta.,4a.beta.,7a.alpha.,8.alpha.,9a.beta.)]-|Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3.alpha.)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester

Molecular Formula	C17H22O5
Molecular Weight	306.14673 g/mol
LogP	1.9
Topological Polar Surface Area	69.67 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	306.14673
Heavy Atoms	22
Complexity	565.4

Chemical Identifiers

CAS Number	10092-04-3
SMILES	C[C@@H]1C[C@H]2[C@@H]([C@H](C(=O)O2)C)[C@H]([C@]3(C1C=CC3=O)C)OC(=O)C