(6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6-dodecanoyloxy-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-dodecanoyloxy-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]-6-dodecanoyloxy-4,7-dihydroxy-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-(1-oxododecoxy)-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-dodecanoyloxy-4,7-dihydroxy-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-lauroyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Formula: C37H52O14 MolecularWeight: 720.80038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)O[C@@H]1[C@H](C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O

InChI

InChI=1S/C37H52O14/c1-5-6-7-8-9-10-11-12-16-19-27(39)49-30-29(40)35(50-31(32(41)42)36(47,33(43)44)37(30,51-35)34(45)46)21-20-23(2)28(48-25(4)38)24(3)22-26-17-14-13-15-18-26/h13-15,17-18,24,28-31,40,47H,2,5-12,16,19-22H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t24-,28-,29-,30-,31?,35?,36?,37?/m1/s1