Spektraris NMR
(1S)-1,6-Dimethyl-2beta-(beta-D-glucopyranosyloxy)-4beta-isopropyltetralin-1alpha,7-diol
Common Name: (1S)-1,6-Dimethyl-2beta-(beta-D-glucopyranosyloxy)-4beta-isopropyltetralin-1alpha,7-diol
Synonyms: (1S)-1,6-Dimethyl-2beta-(beta-D-glucopyranosyloxy)-4beta-isopropyltetralin-1alpha,7-diol
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-9(2)11-6-16(21(4,27)13-7-14(23)10(3)5-12(11)13)29-20-19(26)18(25)17(24)15(8-22)28-20/h5,7,9,11,15-20,22-27H,6,8H2,1-4H3/t11-,15+,16-,17+,18-,19+,20-,21-/m0/s1
InChIKey: InChIKey=YRGBVLZQUBQPAL-ODEAETGNSA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, H.L., Nagatsu, A., Okuyama, H., Mizukami, H., Sakakibara, J. Phytochemistry (1998) 48, 665-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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) | 144.1 |
| 2 (CH) | 112.1 |
| 3 (C) | 155.2 |
| 4 (C) | 124.1 |
| 5 (CH) | 128.9 |
| 6 (C) | 127.7 |
| 7 (CH) | 42.1 |
| 8 (CH2) | 27.5 |
| 9 (CH) | 85.7 |
| 10 (C) | 74.5 |
| 11 (CH) | 31.4 |
| 12 (CH3) | 20.5 |
| 13 (CH3) | 15.8 |
| 14 (CH3) | 16.7 |
| 15 (CH3) | 26.5 |
| 1' (CH) | 106.7 |
| 2' (CH) | 76.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.5 |
