Spektraris NMR
Atractyloside B
Common Name: Atractyloside B
Synonyms: Atractyloside B
CAS Registry Number:
InChI: InChI=1S/C21H38O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-18,22-29H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15-,16+,17-,18+,20+,21+/m1/s1
InChIKey: InChIKey=ZQIOVWYOYSNXID-PSWNBIAJSA-N
Formula: C21H38O10
Molecular Weight: 450.521252
Exact Mass: 450.246497
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 152-7
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) | 43.97 |
| 2 (CH2) | 31.26 |
| 3 (CH) | 79.66 |
| 4 (C) | 81.32 |
| 5 (CH) | 45.97 |
| 6 (CH2) | 31.97 |
| 7 (CH) | 52.59 |
| 8 (CH2) | 24.52 |
| 9 (CH2) | 38 |
| 10 (C) | 75.37 |
| 11 (C) | 80.7 |
| 12 (CH3) | 24.06 |
| 13 (CH3) | 25.03 |
| 14 (CH2) | 68.64 |
| 15 (CH3) | 16.08 |
| 1' (CH) | 98.65 |
| 2' (CH) | 75.85 |
| 3' (CH) | 78.87 |
| 4' (CH) | 71.81 |
| 5' (CH) | 78.29 |
| 6' (CH2) | 62.86 |
