TPCN05856

Name (3??,4??,24S)-24-Methyl-9,19-cyclolanosta-20,25-diene-3,16,28-triol
Molecular Formula C31H50O3
Molecular Weight 470.74
CAS Registry Number 1014976-26-1
SMILES C=C(C)C(C)CCC(=C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rutaceae Skimmia laureola Aerial parts 0.000063% Nat Prod Res. 2008 Jan 10;22(1):37-47. 10.1080/14786410601130356.
Properties
HBA 3 HBD 3
HeavyAtoms 34 AlogP 6.28
TPSA 60.69 RotatableBonds 6
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5