TPCN02945

Name 8-epi-sclareol
Molecular Formula C20H36O2
Molecular Weight 308.51
CAS Registry Number 1232-00-4
SMILES C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Vitex agnus-castus Fruits 0.000150% Chem Pharm Bull (Tokyo) 59, 392-396 (2011). 10.1248/cpb.59.392
Properties
HBA 2 HBD 2
HeavyAtoms 22 AlogP 4.70
TPSA 40.46 RotatableBonds 4
FractionCSP3 0.90 Rings 2
AromaticRings 0 AliphaticRings 2