trimethyl (1S,3S,4S,5R,6R,7R)-6-[(4R,6S)-4,6-dimethyloctanoyl]oxy-1-[(5S)-3,5-dimethyl-6-phenyl-hexyl]-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: trimethyl (1S,3S,4S,5R,6R,7R)-6-[(4R,6S)-4,6-dimethyloctanoyl]oxy-1-[(5S)-3,5-dimethyl-6-phenyl-hexyl]-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: trimethyl (1S,3S,4S,5R,6R,7R)-6-[(4R,6S)-4,6-dimethyloctanoyl]oxy-1-[(5S)-3,5-dimethyl-6-phenyl-hexyl]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1S,3S,4S,5R,6R,7R)-6-[(4R,6S)-4,6-dimethyl-1-oxooctoxy]-1-[(5S)-3,5-dimethyl-6-phenylhexyl]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1S,3S,4S,5R,6R,7R)-6-[(4R,6S)-4,6-dimethyloctanoyl]oxy-1-[(5S)-3,5-dimethyl-6-phenylhexyl]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1S,3S,4S,5R,6R,7R)-6-[(4R,6S)-4,6-dimethyloctanoyl]oxy-1-[(5S)-3,5-dimethyl-6-phenyl-hexyl]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid trimethyl ester Formula: C36H54O12 MolecularWeight: 678.80676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)CCC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC)(C(=O)OC)O)C(=O)OC)CCC(C)CC(C)CC3=CC=CC=C3)O

Isomeric SMILES

CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC)(C(=O)OC)O)C(=O)OC)CCC(C)C[C@H](C)CC3=CC=CC=C3)O

InChI

InChI=1S/C36H54O12/c1-9-22(2)19-23(3)15-16-27(37)46-29-28(38)34(18-17-24(4)20-25(5)21-26-13-11-10-12-14-26)47-30(31(39)43-6)35(42,32(40)44-7)36(29,48-34)33(41)45-8/h10-14,22-25,28-30,38,42H,9,15-21H2,1-8H3/t22-,23+,24?,25-,28+,29+,30+,34-,35+,36-/m0/s1