TPCN05435

Name Alphitolic acid
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 564-13-6
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rhamnaceae Gouania longipetala Aerial parts 0.000842% Phytochemistry. 2017. 134, 71-77. 10.1016/j.phytochem.2016.11.004
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.15
TPSA 118.22 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5