TPCN01368

Name 11beta,13-dihydrovernodalin
Molecular Formula C19H22O7
Molecular Weight 362.38
CAS Registry Number 89354-71-2
SMILES C=CC12COC(=O)C(=C)C1C1OC(=O)C(C)C1C(OC(=O)C(=C)CO)C2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Lauraceae Vernonia cinerascens Aerial parts 0.000617% Molecules 23(2).(2018) 10.3390/molecules23020248
Properties
HBA 7 HBD 1
HeavyAtoms 26 AlogP 0.93
TPSA 99.13 RotatableBonds 4
FractionCSP3 0.53 Rings 3
AromaticRings 0 AliphaticRings 3