TPCN06198

Name Kadcoccine acid F
Molecular Formula C30H44O3
Molecular Weight 452.68
CAS Registry Number 2022944-06-3
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CC12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000280% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 3 HBD 1
HeavyAtoms 33 AlogP 7.38
TPSA 54.37 RotatableBonds 5
FractionCSP3 0.73 Rings 4
AromaticRings 0 AliphaticRings 4