TPCN04787

Name Kadcoccinic acid C
Molecular Formula C30H44O4
Molecular Weight 468.68
CAS Registry Number 1802768-38-2
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C1C=C1C2CCC2C(C)(C)OC(=O)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000020% 10.1021/acs.jnatprod.5b00392 10.1248/cpb.54.1380
Properties
HBA 4 HBD 1
HeavyAtoms 34 AlogP 7.11
TPSA 63.60 RotatableBonds 5
FractionCSP3 0.73 Rings 4
AromaticRings 0 AliphaticRings 4