TPCN01770

Name 1??hydroxyl-eudesman-4-ene-12, 6??-olide
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 41410-55-3
SMILES CC1=C2C3OC(=O)C(C)C3CCC2(C)C(O)CC1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Sonchus arvensis Whole plants 0.000128% Fitoterapia 81(5): 424-428.(2010) 10.1016/j.fitote.2009.12.001
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.44
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3