[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6,10-dimethyl-3-methylidene-6-oxidanyl-2,7-bis(oxidanylidene)-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

Systemtic Name: [(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6,10-dimethyl-3-methylidene-6-oxidanyl-2,7-bis(oxidanylidene)-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate Openeye Name: [(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] ester IUPAC Name: [(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetoxy-6-hydroxy-2,7-diketo-6,10-dimethyl-3-methylene-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] ester Formula: C22H30O8 MolecularWeight: 422.4688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2

Isomeric SMILES

C[C@@H]/1C[C@@H]2[C@@H]([C@@H]([C@H]([C@@](C(=O)/C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2

InChI

InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h7-8,11-12,15,18-20,27H,4,9-10H2,1-3,5-6H3/b8-7-/t12-,15+,18-,19-,20+,22-/m0/s1