TPCN06258

Name Kadcoccine acid J
Molecular Formula C32H48O5
Molecular Weight 512.73
CAS Registry Number 2022944-10-9
SMILES CC(=O)OC1CCC2(C)C3CC4C(CO)=C(C(C)CCC=C(C)C(=O)O)CCC4(C)C3=CCC2C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000104% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 5 HBD 2
HeavyAtoms 37 AlogP 6.86
TPSA 83.83 RotatableBonds 7
FractionCSP3 0.75 Rings 4
AromaticRings 0 AliphaticRings 4