(6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-4,7-bis(oxidanyl)-6-propanoyloxy-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]-4,7-bis(oxidanyl)-6-propanoyloxy-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-propanoyloxy-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-oxopropoxy)-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-propanoyloxy-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-propionyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Formula: C28H34O14 MolecularWeight: 594.56116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C28H34O14/c1-5-18(30)40-21-20(31)26(41-22(23(32)33)27(38,24(34)35)28(21,42-26)25(36)37)12-11-14(2)19(39-16(4)29)15(3)13-17-9-7-6-8-10-17/h6-10,15,19-22,31,38H,2,5,11-13H2,1,3-4H3,(H,32,33)(H,34,35)(H,36,37)/t15-,19-,20-,21-,22?,26?,27?,28?/m1/s1