Kessane

Name: Kessane
CAS#: 3321-66-2
Chemical Formula: C15H26O
Exact Mass: 222.2
Molecular Weight: 222.37
Elemental Analysis: C, 81.02; H, 11.79; O, 7.19

Description: Kessane is a sesquiterpenoid oxide isolated from Japanese valerians. It has been elucidated to have the stereostructure I on the basis of its spectroscopic and chemical studies and derivation from 2-epi-α-kessyl alcohol.

IUPAC/Chemical Name: 1,4-Ethano-1H-cyclopent(c)oxepin, octahydro-1,3,3,6-tetramethyl-, (1S-(1alpha,4alpha,5abeta,6alpha,8aalpha))-

InChi Key: QRVMFXFSGYDNJI-HVNMYJMUSA-N

InChi Code: InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1

SMILES Code: C[C@@H]1CC[C@@]2([H])[C@@]3(C)OC(C)(C)[C@@](CC3)([H])C[C@@]21[H]

Appearance: Solid powder