[(4R,6E,10E)-12-[2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methyl-5-oxidanyl-phenyl]-2,6,10-trimethyl-dodeca-2,6,10-trien-4-yl] ethanoate

Systemtic Name: [(4R,6E,10E)-12-[2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methyl-5-oxidanyl-phenyl]-2,6,10-trimethyl-dodeca-2,6,10-trien-4-yl] ethanoate Openeye Name: [(1R,3E,7E)-9-[5-hydroxy-4-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3,7-dimethyl-1-(2-methylprop-1-enyl)nona-3,7-dienyl] acetate CAS Name: acetic acid [(4R,6E,10E)-12-[5-hydroxy-4-methyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2,6,10-trimethyldodeca-2,6,10-trien-4-yl] ester IUPAC Name: [(4R,6E,10E)-12-[5-hydroxy-4-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,6,10-trimethyldodeca-2,6,10-trien-4-yl] acetate Traditional Name: acetic acid [(1R,3E,7E)-9-[5-hydroxy-4-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3,7-dimethyl-1-(2-methylprop-1-enyl)nona-3,7-dienyl] ester Formula: C30H44O9 MolecularWeight: 548.66496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1O)CC=C(C)CCC=C(C)CC(C=C(C)C)OC(=O)C)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1O)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C30H44O9/c1-17(2)12-23(37-21(6)32)13-19(4)9-7-8-18(3)10-11-22-15-24(33)20(5)14-25(22)38-30-29(36)28(35)27(34)26(16-31)39-30/h9-10,12,14-15,23,26-31,33-36H,7-8,11,13,16H2,1-6H3/b18-10+,19-9+/t23-,26+,27-,28-,29+,30+/m0/s1