TPCN04731

Name 3??-Z-feruloyltaraxerol
Molecular Formula C40H58O4
Molecular Weight 602.90
CAS Registry Number 696620-28-7
SMILES COc1cc(C=CC(=O)OC2CCC3(C)C4CCC5(C)C(=CCC6(C)CCC(C)(C)CC65)C4(C)CCC3C2(C)C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rhizophoraceae Bruguiera cylindrica Fruits 0.000080% J Nat Prod 67(5): 886-888. 10.1021/np0305122
Properties
HBA 4 HBD 1
HeavyAtoms 44 AlogP 10.15
TPSA 55.76 RotatableBonds 4
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5