Spektraris NMR
(1S*,5S*,7S*)-Guai-3,10(14)-dien-5,11-oxide
Common Name: (1S*,5S*,7S*)-Guai-3,10(14)-dien-5,11-oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h6,12-13H,1,5,7-9H2,2-4H3/t12-,13-,15+/m0/s1
InChIKey: InChIKey=MGSOIRWVRUQEDG-KCQAQPDRSA-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 : Guaianes; 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) | 58.7 |
| 2 (CH2) | 31.7 |
| 3 (CH) | 124.4 |
| 4 (C) | 144.2 |
| 5 (C) | 94.9 |
| 6 (CH2) | 35.1 |
| 7 (CH) | 45.6 |
| 8 (CH2) | 32.5 |
| 9 (CH2) | 34.7 |
| 10 (C) | 151.8 |
| 11 (C) | 82.3 |
| 12 (CH3) | 31.3 |
| 13 (CH3) | 23.5 |
| 14 (CH2) | 110.9 |
| 15 (CH3) | 12.9 |
