TPCN04059

Name 2??,23??-dihydroxy-3??-O-trans-feruloyloxy-olean-12-en-28-oic acid
Molecular Formula C40H56O8
Molecular Weight 664.88
CAS Registry Number 1616385-47-7
SMILES COc1cc(C=CC(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus mukorossi Fruits 0.000100% Nat Prod Res 28, 1058-1064 (2014). 10.1080/14786419.2014.905559
Properties
HBA 8 HBD 4
HeavyAtoms 48 AlogP 7.16
TPSA 133.52 RotatableBonds 6
FractionCSP3 0.70 Rings 6
AromaticRings 1 AliphaticRings 5