TPCN00899

Name 1??,10??,4??,5??-diepoxy8??-angeloyloxy-costunolide
Molecular Formula C19H24O6
Molecular Weight 348.40
CAS Registry Number 81686-16-0
SMILES C=C(C)C(=O)OC1CC2(C)OC2CCC2(C)OC2C2OC(=O)C(=C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Dimerostemma brasilianum Leaves 0.013333% Z Naturforsch C J Biosci 61(9-10): 647-652.(2006) 10.1515/znc-2006-9-1006
Properties
HBA 6 HBD 0
HeavyAtoms 25 AlogP 2.07
TPSA 77.66 RotatableBonds 2
FractionCSP3 0.68 Rings 4
AromaticRings 0 AliphaticRings 4