TPCN04424

Name Lanostan-3b, 23S-dihydroxy-22(31)-ene
Molecular Formula C31H54O2
Molecular Weight 458.77
CAS Registry Number 1802333-52-3
SMILES C=C(C(O)CC(C)C)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia leopoldii Aerial parts 0.000706% Nat Prod Res 30(7): 741-749. 10.1080/14786419.2015.1062004
Properties
HBA 2 HBD 2
HeavyAtoms 33 AlogP 7.63
TPSA 40.46 RotatableBonds 5
FractionCSP3 0.94 Rings 4
AromaticRings 0 AliphaticRings 4