TPCN01438

Name 3-O-(3'-Acetoxy-2'-hydroxy-2'-methylbutyryl)-cuauhtemone
Molecular Formula C22H34O7
Molecular Weight 410.51
CAS Registry Number 1499777-58-0
SMILES CC(=O)OC(C)C(C)(O)C(=O)OC1CCC2(C)CC(=O)C(=C(C)C)CC2C1(C)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Laggera alata Whole plants 0.000467% Phytochemistry 96: 201-207.(2013) 10.1016/j.phytochem.2013.07.014
Properties
HBA 7 HBD 2
HeavyAtoms 29 AlogP 2.47
TPSA 110.13 RotatableBonds 4
FractionCSP3 0.77 Rings 2
AromaticRings 0 AliphaticRings 2