[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-oxidanyl-but-2-enoate

Systemtic Name: [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-oxidanyl-but-2-enoate Openeye Name: [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(acetoxymethyl)-4-hydroxy-but-2-enoate CAS Name: (E)-2-(acetyloxymethyl)-4-hydroxy-2-butenoic acid [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester IUPAC Name: [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate Traditional Name: (E)-2-(acetoxymethyl)-4-hydroxy-but-2-enoic acid [(3aR,4R,6E,10E,11aR)-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)COC(=O)C)C(=C)C(=O)O2

Isomeric SMILES

C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)OC(=O)/C(=C/CO)/COC(=O)C)C(=C)C(=O)O2

InChI

InChI=1S/C22H28O7/c1-13-6-5-7-14(2)11-19(20-15(3)21(25)28-18(20)10-13)29-22(26)17(8-9-23)12-27-16(4)24/h7-8,10,18-20,23H,3,5-6,9,11-12H2,1-2,4H3/b13-10+,14-7+,17-8+/t18-,19-,20+/m1/s1