TPCN00726

Name Hyperelodiones B
Molecular Formula C27H38O4
Molecular Weight 426.60
CAS Registry Number 2395777-19-0
SMILES CCC(C)C(=O)C1=C(O)C2=C(OC(C)(C)C3CCC(C)=CC23)C(C)(CC=C(C)C)C1=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Clusiaceae Hypericum elodeoides Whole plants 0.000035% Phytochemistry 170, 112216 (2020). 10.1016/j.phytochem.2019.112216
Properties
HBA 4 HBD 1
HeavyAtoms 31 AlogP 6.39
TPSA 63.60 RotatableBonds 5
FractionCSP3 0.63 Rings 3
AromaticRings 0 AliphaticRings 3