TPCN01385

Name Blumeoidolide-B
Molecular Formula C24H32O9
Molecular Weight 464.51
CAS Registry Number 1639406-71-5
SMILES C=C1C(=O)OC2C1C(OC(=O)C(C)(OC(C)=O)C(C)OC(C)=O)CC1(C)C(O)CC=C(C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia blumeoides Aerial parts 0.000588% Phytochemistry 111, 163-168.(2015) 10.1016/j.phytochem.2014.11.010
Properties
HBA 9 HBD 1
HeavyAtoms 33 AlogP 2.01
TPSA 125.43 RotatableBonds 5
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3