Spektraris NMR
Monoglucoside
Common Name: Monoglucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O9/c1-13(10-27)15-9-14-5-6-17-25(2,12-29)7-4-8-26(17,3)18(14)20(31)23(15)35-24-22(33)21(32)19(30)16(11-28)34-24/h9,13,16-17,19,21-22,24,27-33H,4-8,10-12H2,1-3H3/t13?,16-,17+,19-,21+,22-,24+,25-,26+/m1/s1
InChIKey: InChIKey=VSUMZNUKRWYGSQ-FHOPRDMISA-N
Formula: C26H40O9
Molecular Weight: 496.591408
Exact Mass: 496.267233
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Takasaki, M., Yamauchi, I.I., Haruna, M., Konoshima, T. J Nat Prod (1998) 61, 1105-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (CH2) | 37.78 |
| 2 (CH2) | 20.11 |
| 3 (CH2) | 36.64 |
| 4 (C) | 40.34 |
| 5 (CH) | 55.69 |
| 6 (CH2) | 20.68 |
| 7 (CH2) | 34.46 |
| 8 (C) | 135.15 |
| 9 (C) | 134.9 |
| 10 (C) | 40.61 |
| 11 (C) | 149.13 |
| 12 (C) | 143.18 |
| 13 (C) | 136.42 |
| 14 (CH) | 118.24 |
| 15 (CH) | 34.89 |
| 16 (CH2) | 69.15 |
| 17 (CH3) | 18.39 |
| 18 (CH3) | 28.05 |
| 19 (CH2) | 65.64 |
| 20 (CH3) | 20.68 |
| 1' (CH) | 107.82 |
| 2' (CH) | 75.63 |
| 3' (CH) | 79.03 |
| 4' (CH) | 71.54 |
| 5' (CH) | 77.99 |
| 6' (CH2) | 63.04 |
