TPCN03933

Name 2??,3??-dihydroxy-23-norurs-4(24),11,13(18)-trien-28-oic acid
Molecular Formula C29H42O4
Molecular Weight 454.65
CAS Registry Number 2363739-46-0
SMILES C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C=CC2=C3CC(C)(C)CCC3(C(=O)O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Dipsacus asper Roots 0.000280% Phytochemistry, 2019, 162, 241-249. 10.1016/j.phytochem.2019.03.028
Properties
HBA 4 HBD 3
HeavyAtoms 33 AlogP 5.65
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.76 Rings 5
AromaticRings 0 AliphaticRings 5