TPCN00925

Name 11beta,13-dihydrovernolide;11,13-dihydrovernolide
Molecular Formula C19H24O7
Molecular Weight 364.39
CAS Registry Number 105229-54-7
SMILES C=C(C)C(=O)OC1CC23OC2CCC(=CC2OC(=O)C(C)C21)COC3O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia cinerascens Aerial parts 0.001067% Molecules 23(2).(2018) 10.3390/molecules23020248
Asteraceae Gymnanthemum extensum Aerial parts 0.000308% Bioorg Chem 92: 103197.(2019) 10.1016/j.bioorg.2019.103197
Properties
HBA 7 HBD 1
HeavyAtoms 26 AlogP 1.25
TPSA 94.59 RotatableBonds 2
FractionCSP3 0.68 Rings 5
AromaticRings 0 AliphaticRings 5