TPCN06187

Name 24-methylenecycloartanone 13-carboxylic acid
Molecular Formula C31H48O3
Molecular Weight 468.72
CAS Registry Number 1289127-69-0
SMILES C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C(=O)O)C(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Nandina domestica Fruits 0.000315% J Nat Med . 2010 Apr;64(2):216-8 10.1007/s11418-010-0389-6
Properties
HBA 3 HBD 1
HeavyAtoms 34 AlogP 7.69
TPSA 54.37 RotatableBonds 6
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5