TPCN01374

Name 2-acetyl-5 beta-acetoxy-3a,4,5,6,7,7a-hexahydro-7a beta-hydroxy-3a beta,4 beta-dimethyl-1H-indene
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 1158092-59-1
SMILES CC(=O)OC1CCC2(O)CC(C(C)=O)=CC2(C)C1C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ligularia hodgsonii Whole plants 0.000600% Planta Med 75(6): 635-640.(2019) 10.1055/s-0029-1185359
Properties
HBA 4 HBD 1
HeavyAtoms 19 AlogP 2.00
TPSA 63.60 RotatableBonds 2
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2