TPCN01481

Name 8a-(2-Methylacryloyloxy)-1b,4b-epoxy-1a-methoxy-13-O-acetate10bH-germacra-5E,7(11)-dien-12,6-olide
Molecular Formula C22H28O8
Molecular Weight 420.46
CAS Registry Number 883872-71-7
SMILES C=C(C)C(=O)OC1CC(C)C2(OC)CCC(C)(C=C3OC(=O)C(COC(C)=O)=C31)O2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia chinensis Whole plants 0.000400% Planta Med 71(10): 949-954.(2005) 10.1055/s-2005-871212
Properties
HBA 8 HBD 0
HeavyAtoms 30 AlogP 2.73
TPSA 97.36 RotatableBonds 5
FractionCSP3 0.59 Rings 3
AromaticRings 0 AliphaticRings 3