Molecule ID: 51041100

IUPAC Name: (1S,5S,6S,7S,8S,9S)-9-methoxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-2-en-13-one

Description: The molecule is a sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava. It has a role as a coral metabolite. It is a cyclic ether, an organic heterotricyclic compound, a cyclic ketone and a sesquiterpenoid.

SMILES: CO[C@H]1O[C@@]23C=CC[C@H](C)[C@@]2(C)[C@@H](C(=O)CC3)[C@@H]1C

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

InChI: InChI=1S/C16H24O3/c1-10-6-5-8-16-9-7-12(17)13(15(10,16)3)11(2)14(18-4)19-16/h5,8,10-11,13-14H,6-7,9H2,1-4H3/t10-,11-,13+,14-,15-,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 2.5