Acetylhymenograndin

[(3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

Also Known As: Acetylhymenograndin|HYMENOGRANDIN, ACETYL|[(3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate|5,6,7-Tris(acetyloxy)decahydro-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2(3H)-one (3aR-(3aalpha,4abeta,5beta,6alpha,7alpha,7aalpha,8alpha,9aalpha))-|Azuleno(6,5-b)furan-2(3H)-one, 5,6,7-tris(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4abeta,5beta,6alpha,7alpha,7aalpha,8alpha,9aalpha))-|[(3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl|((3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno(6,5-b)furan-6-yl) acetate|(3aR)-5beta,6alpha,7alpha-Tris(acetyloxy)-3aalpha,4,4a,5,6,7,7aalpha,8,9,9aalpha-decahydro-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one|(3aR,4aS,5R,6R,7R,7aS,8R,9aR)-4a,8-Dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-5,6,7-triyl triacetate|(3AR,4AS,5R,6R,7R,7AS,8R,9AR)-6,7-BIS(ACETYLOXY)-4A,8-DIMETHYL-3-METHYLIDENE-2-OXO-DODECAHYDROAZULENO[6,5-B]FURAN-5-YL ACETATE

Molecular Formula	C21H28O8
Molecular Weight	408.1784 g/mol
LogP	2.4
Topological Polar Surface Area	105.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	408.1784
Monoisotopic Mass	408.1784
Heavy Atoms	29
Complexity	758.0

Chemical Identifiers

CAS Number	72264-72-3
SMILES	C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)C)C(=C)C(=O)O2
InChIKey	MOYXNJHXWIYEQO-KSKIZGMASA-N