TPCN01383

Name 8,10-epoxy-9-acetoxythymol angelate
Molecular Formula C17H20O5
Molecular Weight 304.34
CAS Registry Number 76475-33-7
SMILES CC=C(C)C(=O)Oc1cc(C)ccc1C1(COC(C)=O)CO1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Eupatorium luchuense Leaves 0.000600% J Nat Prod 68(5): 745-750.(2005) 10.1021/np040214k
Properties
HBA 5 HBD 0
HeavyAtoms 22 AlogP 2.66
TPSA 65.13 RotatableBonds 5
FractionCSP3 0.41 Rings 2
AromaticRings 1 AliphaticRings 1