Molecule ID: 70678616

IUPAC Name: [(2R,3S,6R,9R,10S,14R,17S,18R)-12-ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-9-yl] acetate

Description: The molecule is a diterpene alkaloid isolated from the roots of Delphinium denudatum that exhibits antifungal activity. It has a role as an antifungal agent. It is a delta-lactone, an ether, an acetate ester, a bridged compound, a tertiary amine and a diterpene alkaloid.

SMILES: CCN1C[C@]2(C)CC[C@H](OC)C34C1[C@H](C[C@@H]32)[C@]1(OC(C)=O)CC[C@@H]2C[C@@H]4[C@@H]1C(=O)O2

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

InChI: InChI=1S/C24H35NO5/c1-5-25-12-22(3)8-7-18(28-4)24-15-10-14-6-9-23(30-13(2)26,19(15)21(27)29-14)16(20(24)25)11-17(22)24/h14-20H,5-12H2,1-4H3/t14-,15-,16+,17-,18+,19-,20?,22+,23-,24?/m1/s1

Molecular Properties:
- Polar Surface Area: 65.099 Ų
- LogP: 2.6