TPCN01511

Name Blumeoidolide-D
Molecular Formula C22H28O9
Molecular Weight 436.46
CAS Registry Number 1639406-73-7
SMILES C=C1C(=O)OC2C3=C(C)C(=O)CC(O)C3(C)CC(OC(=O)C(C)(O)C(C)OC(C)=O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia blumeoides Aerial parts 0.000365% Phytochemistry 111, 163-168.(2015) 10.1016/j.phytochem.2014.11.010
Properties
HBA 9 HBD 2
HeavyAtoms 31 AlogP 0.76
TPSA 136.43 RotatableBonds 4
FractionCSP3 0.64 Rings 3
AromaticRings 0 AliphaticRings 3