Spektraris NMR
(3S)-3beta,6alpha-Dimethyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione
![(3S)-3beta,6alpha-Dimethyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione](/nmr/static/nmr/svg/8539.svg)
Common Name: (3S)-3beta,6alpha-Dimethyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione
Synonyms: (3S)-3beta,6alpha-Dimethyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione
CAS Registry Number:
InChI: InChI=1S/C21H30O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,8-9,11,13-19,21-22,24-26H,3-4,6-7H2,1-2H3/t8-,9-,11-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=QTVJDJDBGXZYEA-LEPDIHTRSA-N
Formula: C21H30O9
Molecular Weight: 426.458321
Exact Mass: 426.188983
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Ongania, K.H., Sturm, S., Stuppner, H. J Nat Prod (2000) 63, 812-6
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) | 54.7 |
| 2 (C) | 211.8 |
| 3 (CH) | 130.5 |
| 4 (C) | 181.9 |
| 5 (CH) | 52.1 |
| 6 (CH) | 83.3 |
| 7 (CH) | 52.2 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 35.5 |
| 10 (CH) | 35.7 |
| 11 (CH) | 42.6 |
| 12 (C) | 180.4 |
| 13 (CH3) | 13 |
| 14 (CH3) | 15.1 |
| 15 (CH2) | 69.5 |
| 1' (CH) | 104.2 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.7 |
