TPCN01662

Name Vlasouliolides A
Molecular Formula C32H40O5
Molecular Weight 504.67
CAS Registry Number 2417097-51-7
SMILES C=C1CCC2C(CC3(CC(C)=O)C(=O)OC4C5C(=C)CCC5C(=C)CCC43)C(=O)OC2C2C(=C)CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vladimiria souliei Roots 0.000215% Sci Rep 7: 43837.(2017) 10.1038/srep43837
Properties
HBA 5 HBD 0
HeavyAtoms 37 AlogP 5.91
TPSA 69.67 RotatableBonds 4
FractionCSP3 0.66 Rings 6
AromaticRings 0 AliphaticRings 6