Spektraris NMR
Amoenolide A 19-b-D-glucopyronoside
Common Name: Amoenolide A 19-b-D-glucopyronoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O10/c1-13-6-17(29)23-25(2,12-35-24-22(33)21(32)20(31)18(10-27)36-24)8-15(28)9-26(23,3)16(13)5-4-14-7-19(30)34-11-14/h7,15,17-18,20-24,27-29,31-33H,4-6,8-12H2,1-3H3/t15-,17-,18+,20+,21-,22+,23-,24+,25+,26+/m0/s1
InChIKey: InChIKey=RVVOIXGRVUXDNF-JMXGJCCUSA-N
Formula: C26H40O10
Molecular Weight: 512.590813
Exact Mass: 512.262148
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 82-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 47.27 |
| 2 (CH) | 63.49 |
| 3 (CH2) | 49.29 |
| 4 (C) | 40.42 |
| 5 (CH) | 57.53 |
| 6 (CH) | 67.84 |
| 7 (CH2) | 44.55 |
| 8 (C) | 126.26 |
| 9 (C) | 138.47 |
| 10 (C) | 43.41 |
| 11 (CH2) | 25.64 |
| 12 (CH2) | 29.19 |
| 13 (C) | 171.56 |
| 14 (CH) | 114.59 |
| 15 (C) | 174.37 |
| 16 (CH2) | 73.2 |
| 17 (CH3) | 19.09 |
| 18 (CH3) | 32.55 |
| 19 (CH2) | 76.97 |
| 20 (CH3) | 22.1 |
| 1' (CH) | 105.66 |
| 2' (CH) | 75.06 |
| 3' (CH) | 78.29 |
| 4' (CH) | 71.47 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.51 |
