TPCN02744

Name 16alpha-hydroxy-17-acetoxy-ent-kauran-19-oic acid
Molecular Formula C22H34O5
Molecular Weight 378.51
CAS Registry Number 912461-06-4
SMILES CC(=O)OCC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula japonica Aerial parts 0.000315% Arch Pharm Res 32, 1369-1372 (2009). 10.1007/s12272-009-2004-5
Properties
HBA 5 HBD 2
HeavyAtoms 27 AlogP 3.78
TPSA 83.83 RotatableBonds 3
FractionCSP3 0.91 Rings 4
AromaticRings 0 AliphaticRings 4