TPCN06252

Name Kadcoccine acid E
Molecular Formula C32H46O5
Molecular Weight 510.72
CAS Registry Number 2022944-05-2
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C3=CC(=O)C4C(C)(C)C(OC(C)=O)CCC4(C)C3CC12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000111% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 5 HBD 1
HeavyAtoms 37 AlogP 6.93
TPSA 80.67 RotatableBonds 6
FractionCSP3 0.72 Rings 4
AromaticRings 0 AliphaticRings 4