TPCN06217

Name Kadcoccine acid M
Molecular Formula C32H50O5
Molecular Weight 514.75
CAS Registry Number 2022944-13-2
SMILES CC(=O)OC1CCC2(C)C3CC4C(C)(CCC(C(C)CCC=C(C)C(=O)O)C4(C)O)C3=CCC2C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000210% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 5 HBD 2
HeavyAtoms 37 AlogP 6.94
TPSA 83.83 RotatableBonds 6
FractionCSP3 0.81 Rings 4
AromaticRings 0 AliphaticRings 4