TPCN05652

Name 3??-hydroxy-urs-30-p-Z-hydroxycinnamoyloxy-12-en-28-oic-acid
Molecular Formula C39H54O6
Molecular Weight 618.86
CAS Registry Number 1446309-01-8
SMILES CC1C(COC(=O)C=Cc2ccc(O)cc2)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Teucrium viscidum Whole plants 0.000012% Molecules. 2013. 18, 1262-1269. 10.3390/molecules18011262.
Properties
HBA 6 HBD 3
HeavyAtoms 45 AlogP 8.03
TPSA 104.06 RotatableBonds 5
FractionCSP3 0.69 Rings 6
AromaticRings 1 AliphaticRings 5