TPCN01624

Name 8beta-tigloyloxymelampolid-14-oic acid methyl ester
Molecular Formula C21H26O6
Molecular Weight 374.43
CAS Registry Number 700367-62-0
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)CC(OC(=O)C(C)=CC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Smallanthus sonchifolius Leaves 0.000255% Biosci Biotechnol Biochem 67(10): 2154-2159.(2003) 10.1271/bbb.67.2154
Properties
HBA 6 HBD 0
HeavyAtoms 27 AlogP 3.19
TPSA 78.90 RotatableBonds 3
FractionCSP3 0.48 Rings 2
AromaticRings 0 AliphaticRings 2