TPCN04089

Name (23Z)-25-hydroxy-tirucalla-7,23diene-3-one
Molecular Formula C30H48O2
Molecular Weight 440.71
CAS Registry Number 1392308-56-3
SMILES CC(CC=CC(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000081% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 2 HBD 1
HeavyAtoms 32 AlogP 7.51
TPSA 37.30 RotatableBonds 4
FractionCSP3 0.83 Rings 4
AromaticRings 0 AliphaticRings 4