TPCN04776

Name 27-oic-3-oxo-28-friedelanoic acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 904922-59-4
SMILES CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C(=O)O)C3CC(C)(C)CCC3(C(=O)O)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Hibiscus tiliaceus Barks 0.000030% Magn Reson Chem 44(6): 624-628. 10.1002/mrc.1802
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 6.59
TPSA 91.67 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5