Molecule ID: 16727451

IUPAC Name: (1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22R,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol

Description: The molecule is a steroid consisting of cevane having an oxygen bridge between positions 4 and 9 and carrying seven additional hydroxy substituents. It has a role as an insecticide. It derives from a hydride of a cevane.

SMILES: C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@](O)([C@@H](O)C[C@@]3(O)[C@@H]4CC[C@@H]5[C@]6(O)O[C@@]4(C[C@@]13O)[C@@]5(C)CC[C@H]6O)[C@]2(C)O

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

InChI: InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: -1.2