TPCN01040

Name 14??-taraxeran-3-one
Molecular Formula C30H50O
Molecular Weight 426.73
CAS Registry Number 39865-10-6
SMILES CC1(C)CCC2(C)CCC3C(C)(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Tanacetum gracile Whole plants 0.003421% Nat Prod Res 30, 2291-2298(2016) 10.1080/14786419.2016.1164701
Properties
HBA 1 HBD 0
HeavyAtoms 31 AlogP 8.46
TPSA 17.07 RotatableBonds 0
FractionCSP3 0.97 Rings 5
AromaticRings 0 AliphaticRings 5