TPCN04000

Name 3??-O-trans-feruloyl-2??-hydroxy-urs-12-en-28-oic acid
Molecular Formula C40H56O7
Molecular Weight 648.88
CAS Registry Number 155800-18-3
SMILES COc1cc(C=CC(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(C(=O)O)CCC34C)C2(C)C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Thalictri herba Aerial parts 0.000167% Chem Pharm Bull (Tokyo), 1994, 42, 101-104. 10.1248/cpb.42.101
Properties
HBA 7 HBD 3
HeavyAtoms 47 AlogP 8.04
TPSA 113.29 RotatableBonds 5
FractionCSP3 0.70 Rings 6
AromaticRings 1 AliphaticRings 5