TPCN01914

Name [13],(1??,6??)-1, 6, 14-trihydroxyeudesm-3-en-12-oic acid ??-lactone
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 923579-52-6
SMILES CC1C(=O)OC2C1CCC1(C)C(O)CC=C(CO)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Sonchus arvensis Whole plants 0.000053% Fitoterapia 81(5): 424-428.(2010) 10.1016/j.fitote.2009.12.001
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.26
TPSA 66.76 RotatableBonds 1
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3