Molecule ID: 14605198

IUPAC Name: [(1R,3S,5R,6S,7S,8R,10R,12R,15R,17R)-6,7-dihydroxy-5-(hydroxymethyl)-10-methyl-14-oxo-2,4,9,11-tetraoxapentacyclo[10.4.1.01,10.03,8.015,17]heptadecan-17-yl]methyl benzoate

Description: The molecule is an organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae. It has a role as a plant metabolite. It is a benzoate ester, an organic heteropentacyclic compound, a cyclic ketal, a cyclic ketone and a bridged compound.

SMILES: C[C@@]12O[C@H]3[C@@H](O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@]13C[C@H]1C(=O)C[C@@H](O2)[C@]13COC(=O)c1ccccc1

SELFIES: [C][C@@][O][C@H1][C@@H1][Branch1][#C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][O][C@@][Ring1][=C][C][C@H1][C][=Branch1][C][=O][C][C@@H1][Branch1][Branch1][O][Ring2][Ring1][Branch1][C@][Ring1][#Branch1][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C23H26O10/c1-21-23(33-20-18(32-21)17(27)16(26)14(9-24)30-20)8-12-13(25)7-15(31-21)22(12,23)10-29-19(28)11-5-3-2-4-6-11/h2-6,12,14-18,20,24,26-27H,7-10H2,1H3/t12-,14+,15+,16+,17-,18+,20-,21+,22-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -0.5