Spektraris NMR
(2S)-Hydroxy-6-deoxypseudoanisatin
Common Name: (2S)-Hydroxy-6-deoxypseudoanisatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O6/c1-7-9(16)4-14-5-10(17)21-6-13(7,3)15(14,20)12(19)11(18)8(14)2/h7-8,11-12,18-20H,4-6H2,1-3H3/t7-,8-,11+,12+,13-,14-,15+/m1/s1
InChIKey: InChIKey=GSXOHBVHCILQRF-YSJBTAPUSA-N
Formula: C15H22O6
Molecular Weight: 298.332165
Exact Mass: 298.141638
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yokoyama, R., Huang, J.M., Hosoda, A., Kino, K., Yang, C.S., Fukuyama, Y. J Nat Prod (2003) 66, 799-803
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 46.1 |
| 2 (CH) | 72.6 |
| 3 (CH) | 78.5 |
| 4 (C) | 82.4 |
| 5 (C) | 48.6 |
| 6 (CH) | 49.7 |
| 7 (C) | 213.3 |
| 8 (CH2) | 48 |
| 9 (C) | 48.3 |
| 10 (CH2) | 36.7 |
| 11 (C) | 177 |
| 12 (CH3) | 8.1 |
| 13 (CH3) | 18 |
| 14 (CH2) | 70.6 |
| 15 (CH3) | 8.3 |
