Cubebenone

Cubebenone

Common Name: Cubebenone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-8(2)11-6-5-10(4)15-12(16)7-9(3)13(15)14(11)15/h7-8,10-11,13-14H,5-6H2,1-4H3/t10-,11+,13-,14-,15?/m0/s1

InChIKey: InChIKey=OZMQICPXNIVENO-UGDUAMEYSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - McPhail, K.L., Davies-Coleman, M.T., Starmer, J. J Nat Prod (2001) 64, 1183-90

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cubebanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH) 26.3
2 (CH2) 30.5
3 (CH2) 26.3
4 (CH) 45.2
5 (CH) 35.5
6 (C) 177.9
7 (CH) 123.4
8 (C) 209
9 (C) 42.8
10 (CH) 54.2
11 (CH) 32.8
12 (CH3) 19.6
13 (CH3) 19.6
14 (CH3) 19.7
15 (CH3) 18.8