TPCN01599

Name Blumeaenes J
Molecular Formula C20H32O7
Molecular Weight 384.47
CAS Registry Number 1234339-69-5
SMILES C=C1CCC2(O)C1C1(O)OC2(C)C(OC(=O)C(C)(O)C(C)O)CC1C(C)C
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 7 HBD 4
HeavyAtoms 27 AlogP 0.88
TPSA 116.45 RotatableBonds 4
FractionCSP3 0.85 Rings 3
AromaticRings 0 AliphaticRings 3