TPCN05171

Name Psidiumoic acid
Molecular Formula C32H52O5
Molecular Weight 516.76
CAS Registry Number 1006033-02-8
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCCO)C(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrtaceae Psidium guajava Leaves 0.000150% Nat Prod Res 21, 742-748 (2007). 10.1080/14786410601083712
Properties
HBA 5 HBD 3
HeavyAtoms 37 AlogP 6.22
TPSA 86.99 RotatableBonds 4
FractionCSP3 0.91 Rings 5
AromaticRings 0 AliphaticRings 5