Molecule ID: 107985

IUPAC Name: (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one

Description: The molecule is an organic heteroheptacyclic compound, an epoxide, a gamma-lactam and a diterpenoid. It has a role as an antispermatogenic agent and a plant metabolite.

SMILES: CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O

SELFIES: [C][C][Branch1][C][C][C@][O][C@H1][Ring1][Ring1][C@@H1][O][C@][Ring1][Ring1][C@][Branch2][Ring1][O][O][C@H1][Ring1][Ring1][C][C@H1][C][=C][Branch1][=Branch2][C][C][C@@][Ring1][=Branch1][Ring1][O][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][C@@H1][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 84.1 Ų
- LogP: 0.2