TPCN03916

Name 3??O-trans-feruloyl-2??,23??-dihydroxy-urs-12-en-28-oic acid
Molecular Formula C40H56O8
Molecular Weight 664.88
CAS Registry Number 2002478-95-5
SMILES COc1cc(C=CC(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(C(=O)O)CCC34C)C2(C)CO)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis tangutica Whole plants 0.000332% Phytochemistry 130, 228-237 (2016). 10.1016/j.phytochem.2016.05.009
Properties
HBA 8 HBD 4
HeavyAtoms 48 AlogP 7.01
TPSA 133.52 RotatableBonds 6
FractionCSP3 0.70 Rings 6
AromaticRings 1 AliphaticRings 5