TPCN01598

Name Blumeaenes B
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 1234339-54-8
SMILES CC(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 0.000277% Planta Med 76(9): 897-902.(2010) 10.1055/s-0029-1240800
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 2.70
TPSA 83.83 RotatableBonds 3
FractionCSP3 0.70 Rings 2
AromaticRings 0 AliphaticRings 2