Molecule ID: 50909886

IUPAC Name: (1R,3S,5S,7S,8R,10R,12S,14R,15S,16S,17R,19S,20S,21S)-7-(hydroxymethyl)-5,15,16,21-tetramethylspiro[2,9,13,18-tetraoxatetracyclo[10.9.0.03,10.014,19]henicosane-17,2'-oxolane]-8,20-diol

Description: The molecule is a polycyclic ether comprising a linear sequence of sequence of four trans-fused oxacycles and one spiro-fused tetrahydrofuran ring. It has a role as a hapten. It is a polycyclic ether and an organic heteropentacyclic compound.

SMILES: C[C@H]1C[C@@H](CO)[C@H](O)O[C@@H]2C[C@@H]3O[C@@H]4[C@@H](C)[C@H](C)[C@@]5(CCCO5)O[C@H]4[C@@H](O)[C@H](C)[C@H]3O[C@H]2C1

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

InChI: InChI=1S/C25H42O8/c1-12-8-16(11-26)24(28)32-18-10-19-21(30-17(18)9-12)14(3)20(27)23-22(31-19)13(2)15(4)25(33-23)6-5-7-29-25/h12-24,26-28H,5-11H2,1-4H3/t12-,13-,14-,15-,16-,17-,18+,19-,20-,21+,22+,23-,24+,25+/m0/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.7