Xenicin

[(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate

Also Known As: Xenicin|[(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate|Cyclonona(c)pyran-1,9-diol, 4-(1,2-bis(acetyloxy)-4-methyl-3-pentenyl)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-, diacetate, (1R-(1R*,4(1R*,2R*),4aS*,7E,9R*,11aR*))-|((1R,4aS,7E,9R,11aR)-1-acetyloxy-4-((1R,2R)-1,2-diacetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona(c)pyran-9-yl) acetate|((1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-((2R)-1,2-diacetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona(c)pyran-9-yl) acetate|-4-[ -1,2-Diacetoxy-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-1,9-dioldiacetate|Cyclonona(c)pyran-1,9-diol,4-(1,2-bis(acetyloxy)-4-methyl-3-pentenyl)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-,diacetate,(1R-(1R*,4(1R*,2R*),4aS*,7E,9R*,11aR*))|Cyclonona[c]pyran-1,9-diol, 4-[1,2-bis(acetyloxy)-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-, diacetate, [1R-[1R*,4(1R*,2R*),4aS*,7E,9R*,11aR*]]-

Molecular Formula	C28H38O9
Molecular Weight	518.2516 g/mol
LogP	4.4698
Topological Polar Surface Area	114.43 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	518.2516
Monoisotopic Mass	518.2516
Heavy Atoms	37
Complexity	999.123

Chemical Identifiers

CAS Number	64504-52-5
SMILES	C/C/1=C/[C@@H](CC(=C)[C@H]2[C@H](CC1)C(=CO[C@@H]2OC(=O)C)C([C@@H](C=C(C)C)OC(=O)C)OC(=O)C)OC(=O)C