TPCN02228

Name 16beta,17-dihydroxy-kauran-19-oic acid;16??,17dihydroxy-ent-kauran-19-oic acid;16alpha,17-dihydroxyl-ent-kauran-19-oic acid
Molecular Formula C20H32O4
Molecular Weight 336.47
CAS Registry Number 3301-61-9
SMILES CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)CO
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Cussonia bojeri Leaves 0.006000% Chem Pharm Bull (Tokyo) 50, 1122-1123 (2002). 10.1248/cpb.50.1122
Asteraceae Inula japonica Aerial parts 0.000560% Arch Pharm Res 32, 1369-1372 (2009). 10.1007/s12272-009-2004-5
Theaceae Eurya chinensis Stems 0.000186% Nat Prod Res 32, 182-188 (2018). 10.1080/14786419.2017.1343327
Properties
HBA 4 HBD 3
HeavyAtoms 24 AlogP 3.21
TPSA 77.76 RotatableBonds 2
FractionCSP3 0.95 Rings 4
AromaticRings 0 AliphaticRings 4