TPCN06304

Name Kadcoccine acid L
Molecular Formula C32H46O5
Molecular Weight 510.72
CAS Registry Number 2022944-12-1
SMILES CC(=O)OC1CCC2(C)C3CC4C(C=O)=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 0.000049% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 5 HBD 1
HeavyAtoms 37 AlogP 7.07
TPSA 80.67 RotatableBonds 7
FractionCSP3 0.72 Rings 4
AromaticRings 0 AliphaticRings 4