TPCN01493

Name Blumeaenes D
Molecular Formula C21H32O5
Molecular Weight 364.48
CAS Registry Number 1234339-58-2
SMILES CCC(C)=CC(=O)OC1CC(C(C)C)C(=O)C2=C(C)CCC2(O)C1(C)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Blumea balsamifera Aerial parts 0.000385% Planta Med 76(9): 897-902.(2010) 10.1055/s-0029-1240800
Properties
HBA 5 HBD 2
HeavyAtoms 26 AlogP 3.09
TPSA 83.83 RotatableBonds 4
FractionCSP3 0.71 Rings 2
AromaticRings 0 AliphaticRings 2