TPCN01454

Name 3 alpha-hydroxy-11 beta,13-dihydrodeoxymikanolide
Molecular Formula C15H18O6
Molecular Weight 294.30
CAS Registry Number 689285-38-9
SMILES CC1C(=O)OC2CC3(C)OC3CC(O)C3=CC(OC3=O)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Mikania micrantha Whole plants 0.000438% J Nat Prod 67(4): 734-736.(2004) 10.1021/np034027i
Properties
HBA 6 HBD 1
HeavyAtoms 21 AlogP 0.33
TPSA 85.36 RotatableBonds 0
FractionCSP3 0.73 Rings 4
AromaticRings 0 AliphaticRings 4