Spektraris NMR
(1S*,5S*,6S*,7S*,10S*)-Bourbon-3-en-5,11-oxide
Common Name: (1S*,5S*,6S*,7S*,10S*)-Bourbon-3-en-5,11-oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-9-5-6-11-14(4)8-7-10-12(14)15(9,11)16-13(10,2)3/h5,10-12H,6-8H2,1-4H3/t10-,11-,12-,14-,15+/m0/s1
InChIKey: InChIKey=MMJLGRDTAHXVGD-ZCRGAIPPSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - von Reuss, S.H., Wu, C.L., Muhle, H., Konig, W.A. Phytochemistry (2004) 65, 2277-91
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bourbonanes; 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) | 48.2 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 128.8 |
| 4 (C) | 141.7 |
| 5 (C) | 91.7 |
| 6 (CH) | 58.5 |
| 7 (CH) | 54.3 |
| 8 (CH2) | 27.5 |
| 9 (CH2) | 43.9 |
| 10 (C) | 39.8 |
| 11 (C) | 85.8 |
| 12 (CH3) | 31.3 |
| 13 (CH3) | 24.1 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 12.3 |
