TPCN06150

Name 25-methoxyhispidol A
Molecular Formula C31H54O4
Molecular Weight 490.77
CAS Registry Number 1063896-79-6
SMILES COC(C)(C)C(O)C(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rutaceae Poncirus trifoliata Fruits 0.000500% Planta Med . 2008 Feb;74(2):151-5 10.1055/s-2008-1034286
Properties
HBA 4 HBD 3
HeavyAtoms 35 AlogP 6.13
TPSA 69.92 RotatableBonds 6
FractionCSP3 0.94 Rings 4
AromaticRings 0 AliphaticRings 4