(6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6-(4-methoxybutanoyloxy)-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

Systemtic Name: (6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6-(4-methoxybutanoyloxy)-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Openeye Name: (6R,7R)-1-[(4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-4,7-dihydroxy-6-(4-methoxybutanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid CAS Name: (6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl]-4,7-dihydroxy-6-(4-methoxy-1-oxobutoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid IUPAC Name: (6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-(4-methoxybutanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Traditional Name: (6R,7R)-1-[3-[(1S,2R)-1-acetoxy-2-methyl-3-phenyl-propyl]but-3-enyl]-4,7-dihydroxy-6-(4-methoxybutanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Formula: C30H38O15 MolecularWeight: 638.61372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(C(=C)CCC23C(C(C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)CCCOC)O)OC(=O)C

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)[C@@H](C(=C)CCC23[C@@H]([C@H](C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)CCCOC)O)OC(=O)C

InChI

InChI=1S/C30H38O15/c1-16(21(42-18(3)31)17(2)15-19-9-6-5-7-10-19)12-13-28-22(33)23(43-20(32)11-8-14-41-4)30(45-28,27(38)39)29(40,26(36)37)24(44-28)25(34)35/h5-7,9-10,17,21-24,33,40H,1,8,11-15H2,2-4H3,(H,34,35)(H,36,37)(H,38,39)/t17-,21-,22-,23-,24?,28?,29?,30?/m1/s1