TPCN01572

Name Elescaberin
Molecular Formula C20H24O7
Molecular Weight 376.41
CAS Registry Number 1111079-78-7
SMILES C=C(C(=O)O)C1C(OC(=O)C(C)=CC)CC2(C=COC2=O)C(C(=C)C)C1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Elephantopus scaber Whole plants 0.000300% J Asian Nat Prod Res 10(5-6): 403-407.(2008) 10.1002/ptr.5793
Properties
HBA 7 HBD 2
HeavyAtoms 27 AlogP 2.14
TPSA 110.13 RotatableBonds 5
FractionCSP3 0.45 Rings 2
AromaticRings 0 AliphaticRings 2