TPCN02135

Name Shizukaol I
Molecular Formula C36H42O11
Molecular Weight 650.72
CAS Registry Number 165171-12-0
SMILES COC(=O)C(C)=C1C(=O)C(O)C2(C)C3=C(CC4C5(OC(=O)C(CO)=C5CC5C(O)(COC(=O)C=C(C)CO)C6CC6C54C)C13)C1CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus fortunei Aerial parts 0.000300% Fitoterapia 159, 105191-105191 (2022). 10.1016/j.fitote.2022.105191
Properties
HBA 11 HBD 4
HeavyAtoms 47 AlogP 1.48
TPSA 176.89 RotatableBonds 6
FractionCSP3 0.67 Rings 8
AromaticRings 0 AliphaticRings 8