Molecule ID: 443484

IUPAC Name: (1S,3S,8S)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadeca-4,11-diene

Description: The molecule is a diterpene consisting of taxane having two C=C double bonds at the 4(5)- and 11(12)-positions. It derives from a hydride of a taxane.

SMILES: CC1=CCC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C

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

InChI: InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.7