O1-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] O6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl] 2-methyl-4-(2-methyldec-1-en-4-yl)hexanedioate

Systemtic Name: O1-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] O6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl] 2-methyl-4-(2-methyldec-1-en-4-yl)hexanedioate Openeye Name: O1-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl] O6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl] 2-methyl-4-[1-(2-methylallyl)heptyl]hexanedioate CAS Name: 2-methyl-4-(2-methyldec-1-en-4-yl)hexanedioic acid O1-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl] ester O6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl] ester IUPAC Name: 1-O-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] 6-O-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl] 2-methyl-4-(2-methyldec-1-en-4-yl)hexanedioate Traditional Name: 4-(1-hexyl-3-methyl-but-3-enyl)-2-methyl-adipic acid O1-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl] ester O6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl] ester Formula: C30H52O14 MolecularWeight: 636.72548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=C)C)C(CC(C)C(=O)OC1(C(C(C(O1)CO)O)O)CO)CC(=O)OCC2C(C(C(C(O2)O)O)O)O

Isomeric SMILES

CCCCCCC(CC(=C)C)C(CC(C)C(=O)O[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O

InChI

InChI=1S/C30H52O14/c1-5-6-7-8-9-18(10-16(2)3)19(12-22(33)41-14-21-23(34)25(36)26(37)29(40)42-21)11-17(4)28(39)44-30(15-32)27(38)24(35)20(13-31)43-30/h17-21,23-27,29,31-32,34-38,40H,2,5-15H2,1,3-4H3/t17?,18?,19?,20-,21-,23-,24-,25+,26-,27+,29+,30-/m1/s1