[(3aR,4R,6aR,8S,9aR,9bR)-8-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,6,9-trimethylidene-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-methoxyphenyl)ethanoate

Systemtic Name: [(3aR,4R,6aR,8S,9aR,9bR)-8-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,6,9-trimethylidene-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-methoxyphenyl)ethanoate Openeye Name: [(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylene-2-oxo-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylene-2-oxo-8-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester IUPAC Name: [(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [(3aR,4R,6aR,8S,9aR,9bR)-2-keto-3,6,9-trimethylene-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester Formula: C30H36O11 MolecularWeight: 572.60024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)OC2CC(=C)C3CC(C(=C)C3C4C2C(=C)C(=O)O4)OC5C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)O[C@@H]2CC(=C)[C@@H]3C[C@@H](C(=C)[C@@H]3[C@@H]4[C@@H]2C(=C)C(=O)O4)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C30H36O11/c1-13-9-20(38-22(32)10-16-5-7-17(37-4)8-6-16)24-15(3)29(36)41-28(24)23-14(2)19(11-18(13)23)39-30-27(35)26(34)25(33)21(12-31)40-30/h5-8,18-21,23-28,30-31,33-35H,1-3,9-12H2,4H3/t18-,19-,20+,21+,23-,24+,25+,26+,27+,28+,30+/m0/s1