TPCN01460

Name Blumeaenes I
Molecular Formula C20H30O6
Molecular Weight 366.45
CAS Registry Number 1234339-67-3
SMILES C=C1CCC2(O)C1C1(O)OC2(C)C(OC(=O)C2(C)OC2C)CC1C(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Blumea balsamifera Aerial parts 0.000431% Planta Med 76(9): 897-902.(2010) 10.1055/s-0029-1240800
Properties
HBA 6 HBD 2
HeavyAtoms 26 AlogP 1.93
TPSA 88.52 RotatableBonds 3
FractionCSP3 0.85 Rings 4
AromaticRings 0 AliphaticRings 4