TPCN00894

Name 1alphaH-4alpha-hydroxy-4,10-dimethyl-5alphaH,7alphaH,8betaH,10alphaH-guai-11(13)- ene-7,8-olide
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 74383-76-9
SMILES C=C1C(=O)OC2CC(C)C3CCC(C)(O)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Leucophyta brownii Aerial parts 0.013953% Nat Prod Res 28(4): 221-229(2014) 10.1080/14786419.2012.755970
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.29
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3