4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-3-oxidanylidene-cyclohexyl)penta-2,4-dienyl]-2-oxidanyl-benzaldehyde

Systemtic Name: 4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-3-oxidanylidene-cyclohexyl)penta-2,4-dienyl]-2-oxidanyl-benzaldehyde Openeye Name: 2-hydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-3-oxo-cyclohexyl)penta-2,4-dienyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzaldehyde CAS Name: 2-hydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzaldehyde IUPAC Name: 2-hydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde Traditional Name: 2-hydroxy-3-[(2E,4E)-5-(3-keto-1,2,6-trimethyl-cyclohexyl)-3-methyl-penta-2,4-dienyl]-6-methyl-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzaldehyde Formula: C29H40O9 MolecularWeight: 532.6225

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1(C)C=CC(=CCC2=C(C=C(C(=C2O)C=O)C)OC3C(C(C(C(O3)CO)O)O)O)C)C

Isomeric SMILES

CC1CCC(=O)C(C1(C)/C=C/C(=C/CC2=C(C=C(C(=C2O)C=O)C)OC3C(C(C(C(O3)CO)O)O)O)/C)C

InChI

InChI=1S/C29H40O9/c1-15(10-11-29(5)17(3)7-9-21(32)18(29)4)6-8-19-22(12-16(2)20(13-30)24(19)33)37-28-27(36)26(35)25(34)23(14-31)38-28/h6,10-13,17-18,23,25-28,31,33-36H,7-9,14H2,1-5H3/b11-10+,15-6+