Molecule ID: 56955927

IUPAC Name: (1S,2R,5S,8R,9R,12S,13S)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione

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

SMILES: C=C1[C@]23C(=O)O[C@@H](C)[C@]2(O)C(=O)O[C@@]1(C)[C@H](O)C1=C(C)[C@@]2(C=CC(=O)OC2(C)C)CC[C@]13C

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

InChI: InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3/t14-,17+,21+,22+,23+,24+,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 0.8