TPCN00625

Name Callistrilones A
Molecular Formula C34H44O7
Molecular Weight 564.72
CAS Registry Number 1844870-81-0
SMILES CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3C(C)C)OC1(C)C2CC(C(C)C)C2OC21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrtaceae Callistemon rigidus Leaves 0.000085% Org Lett, 2016, 18, 120-123. 10.1021/acs.orglett.5b03360
Properties
HBA 7 HBD 1
HeavyAtoms 41 AlogP 6.50
TPSA 102.43 RotatableBonds 4
FractionCSP3 0.68 Rings 6
AromaticRings 1 AliphaticRings 5