TPCN04118

Name 2??-hydroxy3??-O-trans-feruloyloxy-olean-12-en-28-oic acid
Molecular Formula C40H56O7
Molecular Weight 648.88
CAS Registry Number 189272-68-2
SMILES COc1cc(C=CC(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia oleifera Roots 0.000051% J Asian Nat Prod Res, 2015, 17, 800-807. 10.1080/10286020.2015.1004630
Properties
HBA 7 HBD 3
HeavyAtoms 47 AlogP 8.18
TPSA 113.29 RotatableBonds 5
FractionCSP3 0.70 Rings 6
AromaticRings 1 AliphaticRings 5