TPCN05517

Name 3b-hydroxy-30-norhederagenin
Molecular Formula C29H44O4
Molecular Weight 456.67
CAS Registry Number 2196175-29-6
SMILES C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Holboellia coriacea Stems 0.000320% Molecules. 2016. 21. 10.3390/molecules21060734.
Properties
HBA 4 HBD 3
HeavyAtoms 33 AlogP 5.74
TPSA 77.76 RotatableBonds 2
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5