TPCN01917

Name Vlasouliolides C
Molecular Formula C32H42O5
Molecular Weight 506.68
CAS Registry Number 2417097-50-6
SMILES C=C1CCC2C(OC(=O)C2(CC(C)=O)CC2C(=O)OC3C2CCC2(C)CCCC(=C)C32)C2C(=C)CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vladimiria souliei Roots 0.000053% Sci Rep 7: 43837.(2017) 10.1038/srep43837
Properties
HBA 5 HBD 0
HeavyAtoms 37 AlogP 6.13
TPSA 69.67 RotatableBonds 4
FractionCSP3 0.72 Rings 6
AromaticRings 0 AliphaticRings 6