Molecule ID: 56955928

IUPAC Name: (1R,2S,5S,7S,8S,9R,12S,13S)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione

Description: The molecule is a meroterpenoid produced by Aspergillus nidulans. It has an oxygen-bridged pentacyclic structure which incorporates three lactone functionalities and a spiro union.

SMILES: C=C1[C@]23C(=O)O[C@@H](C)[C@@]24O[C@]2(C(=C)[C@@]5(C=CC(=O)OC5(C)C)CC[C@@]32C)[C@@H](O)[C@]1(C)OC4=O

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

InChI: InChI=1S/C25H28O8/c1-12-21(7)16(27)24-13(2)22(9-8-15(26)31-19(22,4)5)11-10-20(24,6)23(12)17(28)30-14(3)25(23,33-24)18(29)32-21/h8-9,14,16,27H,1-2,10-11H2,3-7H3/t14-,16-,20-,21+,22+,23+,24+,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 1.0