Molecule ID: 10906370

IUPAC Name: methyl (1S,2R,10R,13S,15R)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.02,11.05,10]heptadecane-1-carboxylate

Description: The molecule is a meroterpenoid found in Penicillium rubrum. It has a role as a metabolite, an antibacterial agent and a Penicillium metabolite. It is a meroterpenoid, a carbopolycyclic compound, a cyclic terpene ketone, a carboxylic ester, a tertiary alcohol and a tertiary alpha-hydroxy ketone.

SMILES: C=C1[C@]2(C)CC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C(=O)OC)C(=O)[C@](C)(O)C2=O

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

InChI: InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15?,16?,22-,23-,24+,25+,26+/m0/s1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 3.5