TPCN04464

Name (24S)-Cycloart-25-ene-3??,24-diol-3??-trans-ferulate
Molecular Formula C40H58O5
Molecular Weight 618.90
CAS Registry Number 832095-89-3
SMILES C=C(C)C(O)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)C=Cc5ccc(O)c(OC)c5)CCC45CC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Oryza sativa Peels 0.000550% J Nat Prod 68(1): 94-97. 10.1021/np049889d
Properties
HBA 5 HBD 2
HeavyAtoms 45 AlogP 9.12
TPSA 75.99 RotatableBonds 9
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5