TPCN01216

Name Rufesolide B
Molecular Formula C22H28O7
Molecular Weight 404.46
CAS Registry Number 1365999-82-1
SMILES C=C1C(=O)OC2CC(C)=CCC(=O)C(C)(OC(C)=O)CC(OC(=O)C(C)=CC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Piptocoma rufescens Leaves 0.001277% Tetrahedron 68(12): 2671-2678.(2012) 10.1016/j.tet.2012.01.061
Properties
HBA 7 HBD 0
HeavyAtoms 29 AlogP 2.98
TPSA 95.97 RotatableBonds 3
FractionCSP3 0.55 Rings 2
AromaticRings 0 AliphaticRings 2