Molecule ID: 24873932

IUPAC Name: methyl 3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoate

Description: The molecule is a polycyclic cage that is the methyl ester derivative of platensic acid. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage and a methyl ester. It derives from a platensic acid.

SMILES: COC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)C2)[C@H]31

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

InChI: InChI=1S/C18H24O4/c1-16(6-5-14(20)21-3)13(19)4-7-18-9-11-8-12(15(16)18)22-17(11,2)10-18/h4,7,11-12,15H,5-6,8-10H2,1-3H3/t11-,12+,15+,16-,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.0