Spektraris NMR
2,2-dimethyldihydropyranogrebustol-B + iso2,2-dimethyldihydro pyranogrebustol-B
Common Name: 2,2-dimethyldihydropyranogrebustol-B + iso2,2-dimethyldihydro pyranogrebustol-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O5/c1-31(2)30(35)22-27-28(34)19-24(20-29(27)36-31)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-25(32)21-26(33)18-23/h4,6,17-21,30,32-35H,3,5,7-16,22H2,1-2H3/b6-4-
InChIKey: InChIKey=OKTLSUQWOZTAIE-XQRVVYSFSA-N
Formula: C31H44O5
Molecular Weight: 496.679231
Exact Mass: 496.318875
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, H., Leach, D.N., Thomas, M.C., Blanksby, S.J., Forster, P.I., Waterman, P.G. Nat. Prod. Commun. (2009) 4, 951-8
Species:
Notes: Family : Aromatics, Type : Resorcinols; 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 (C) | 146.5 |
| 2 (CH) | 108.1 |
| 3 (C) | 159.4 |
| 4 (CH) | 101.1 |
| 5 (C) | 159.4 |
| 6 (CH) | 108.1 |
| 1' (CH2) | 28.2 |
| 2' (CH2) | 30.8 |
| 3' (CH2) | 30.7 |
| 4' (CH2) | 30.6 |
| 5' (CH2) | 30.4 |
| 6' (CH2) | 32.5 |
| 7' (CH2) | 37.1 |
| 8' (CH) | 131 |
| 9' (CH) | 130.9 |
| 10' (CH2) | 36.9 |
| 11' (CH2) | 32.4 |
| 12' (CH2) | 30.5 |
| 13' (CH2) | 30.8 |
| 14' (CH2) | 28.3 |
| 1'' (C) | 142.5 |
| 2'' (CH) | 106.5 |
| 3'' (C) | 156.5 |
| 4'' (C) | 109.5 |
| 5'' (C) | 156.5 |
| 6'' (CH) | 107.5 |
| 1''' (CH2) | 27.3 |
| 2''' (CH) | 70.5 |
| 3''' (C) | 77.7 |
| 4''' (CH3) | 20.9 |
| 5''' (CH3) | 26 |
