Molecule ID: 45480631

IUPAC Name: (1S,3R,6S,7R,9S,11R,13S,19R,20R)-7-(hydroxymethyl)-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-diene-6,20-diol

Description: The molecule is a trans-fused organic heterotetracyclic compound consisting of two fused pyran rings flanked by two oxepan rings. It has a role as an epitope. It is an organic heterotetracyclic compound and a polycyclic ether.

SMILES: OC[C@H]1O[C@H]2C[C@H]3O[C@H]4CC=CCO[C@@H]4[C@@H](O)[C@@H]3O[C@@H]2C=C[C@@H]1O

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

InChI: InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 97.6 Ų
- LogP: -0.5