Molecule ID: 44233476

IUPAC Name: methyl 3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-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 14-hydroxyplatensic 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, a secondary alcohol and a methyl ester. It derives from a 14-hydroxyplatensic acid.

SMILES: COC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)[C@@H]2O)[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][N][O][C@@][Ring1][Branch1][Branch1][C][C][C@@H1][Ring1][=Branch2][O][C@H1][Ring1][O][Ring1][P]

InChI: InChI=1S/C18H24O5/c1-16(6-5-13(20)22-3)12(19)4-7-18-9-10-8-11(14(16)18)23-17(10,2)15(18)21/h4,7,10-11,14-15,21H,5-6,8-9H2,1-3H3/t10-,11+,14+,15+,16-,17-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 1.0