TPCN02103

Name Ainsliatrimers C
Molecular Formula C45H44O11
Molecular Weight 760.84
CAS Registry Number 1558616-70-8
SMILES C=C1C(=O)OC2C1CCC1(O)CCC3(C(=O)C4=C5C3C3OC(=O)C(=C)C3CCC5(O)CCC43C(=O)CC4C(=C)CCC5C(=C)C(=O)OC5C43)C3=C1C2C(=C)C3=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ainsliaea yunnanensis Aerial parts 0.000083% Natural Product Research, (2021). 10.1080/14786419.2021.1904924
Properties
HBA 11 HBD 2
HeavyAtoms 56 AlogP 3.99
TPSA 170.57 RotatableBonds 0
FractionCSP3 0.56 Rings 11
AromaticRings 0 AliphaticRings 11