TPCN00983

Name Acyl hibiscone B
Molecular Formula C17H22O4
Molecular Weight 290.36
CAS Registry Number 1803095-88-6
SMILES CC(=O)OC1CC(C(C)C)C2CC(C)C(=O)c3occ1c32
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Abelmoschus sagittifolius Stems 0.005105% Nat Prod Res 30(5): 565-569.(2016) 10.1080/14786419.2015.1033624
Properties
HBA 4 HBD 0
HeavyAtoms 21 AlogP 3.87
TPSA 56.51 RotatableBonds 2
FractionCSP3 0.65 Rings 3
AromaticRings 1 AliphaticRings 2