[(3S,3'R,4'S,5'R,6'R)-6'-(hydroxymethyl)-3',4,5',6-tetrakis(oxidanyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-oxidanyl-hexadeca-2,4,8,10-tetraenoate

Systemtic Name: [(3S,3'R,4'S,5'R,6'R)-6'-(hydroxymethyl)-3',4,5',6-tetrakis(oxidanyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-oxidanyl-hexadeca-2,4,8,10-tetraenoate Openeye Name: [(3S,3'R,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-isobenzofuran-3,2'-tetrahydropyran]-4'-yl] (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethyl-hexadeca-2,4,8,10-tetraenoate CAS Name: (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoic acid [(3S,3'R,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)-4'-spiro[1H-isobenzofuran-3,2'-oxane]yl] ester IUPAC Name: [(3S,3'R,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate Traditional Name: (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethyl-hexadeca-2,4,8,10-tetraenoic acid [(1S,3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-methylol-spiro[phthalan-1,2'-tetrahydropyran]-4'-yl] ester Formula: C31H42O10 MolecularWeight: 574.65918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC=CC=C(C)C(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(C=C(C=C3CO2)O)O)CO)O)O

Isomeric SMILES

CC[C@H](C)CC/C=C/C=C(\C)/[C@H](C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(C=C(C=C3CO2)O)O)CO)O)O

InChI

InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19-,23-,25+,28+,29-,30+,31-/m0/s1