TPCN04144

Name 2??,3??,24-trihydroxy-23-norurs-12-en-28-oic acid
Molecular Formula C29H46O5
Molecular Weight 474.68
CAS Registry Number 2363739-45-9
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Dipsacus asper Roots 0.000036% Phytochemistry, 2019, 162, 241-249. 10.1016/j.phytochem.2019.03.028
Properties
HBA 5 HBD 4
HeavyAtoms 34 AlogP 4.64
TPSA 97.99 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5