TPCN05125

Name 2??,24?Cdiacetoxy?C3???Chydroxyolean?C12?Cen?C28?Coic acid
Molecular Formula C34H52O7
Molecular Weight 572.78
CAS Registry Number 1373881-13-0
SMILES CC(=O)OCC1(C)C(O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Nelumbonaceae Nelumbo nucifera Subterraneous stems 0.000333% Nat Prod Res 27, 532-536 (2013) 10.1080/14786419.2012.676549
Properties
HBA 7 HBD 2
HeavyAtoms 41 AlogP 6.32
TPSA 110.13 RotatableBonds 4
FractionCSP3 0.85 Rings 5
AromaticRings 0 AliphaticRings 5