(6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6,7-bis(oxidanyl)-4-propoxy-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]-6,7-bis(oxidanyl)-4-propoxy-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]-6,7-dihydroxy-4-propoxy-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]-6,7-dihydroxy-4-propoxy-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]-6,7-dihydroxy-4-propoxy-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]-6,7-dihydroxy-4-propoxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Formula: C28H36O13 MolecularWeight: 580.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C(OC2(C(C(C1(O2)C(=O)O)O)O)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCOC1(C(OC2([C@@H]([C@H](C1(O2)C(=O)O)O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)C(=O)O)C(=O)O

InChI

InChI=1S/C28H36O13/c1-5-13-38-28(25(36)37)22(23(32)33)40-26(20(30)21(31)27(28,41-26)24(34)35)12-11-15(2)19(39-17(4)29)16(3)14-18-9-7-6-8-10-18/h6-10,16,19-22,30-31H,2,5,11-14H2,1,3-4H3,(H,32,33)(H,34,35)(H,36,37)/t16-,19-,20-,21-,22?,26?,27?,28?/m1/s1