TPCN01437

Name 4-O-Acetyl-3-O-(2',3'-diacetoxy-2'-hydroxy-2'-methylbutyryl)cuauhtemone
Molecular Formula C26H38O9
Molecular Weight 494.58
CAS Registry Number 1499777-55-7
SMILES CC(=O)OC(C)C(C)(OC(C)=O)C(=O)OC1CCC2(C)CC(=O)C(=C(C)C)CC2C1(C)OC(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 9 HBD 0
HeavyAtoms 35 AlogP 3.61
TPSA 122.27 RotatableBonds 6
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2