Spektraris NMR
Abscisic acid-b-D-glucopyranosyl ester (ABA-GE)
Common Name: Abscisic acid-b-D-glucopyranosyl ester (ABA-GE)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1
InChIKey: InChIKey=HLVPIMVSSMJFPS-VTEUUMMASA-N
Formula: C21H30O9
Molecular Weight: 426.458321
Exact Mass: 426.188983
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kato-Noguchi H., Tanaka Y., Murakami T., Yamamura S., Fujihara S. Phytochemistry (2002) 61, 849-53
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 42.9 |
| 2 (CH2) | 50.6 |
| 3 (C) | 201 |
| 4 (CH) | 127.7 |
| 5 (C) | 166.3 |
| 6 (C) | 80.6 |
| 7 (CH) | 139.3 |
| 8 (CH) | 129.2 |
| 9 (C) | 153.6 |
| 10 (CH) | 118.1 |
| 11 (CH3) | 23.6 |
| 12 (CH3) | 24.7 |
| 13 (CH3) | 19.6 |
| 14 (CH3) | 21.3 |
| 19 (C) | 165.9 |
| 1' (CH) | 95.4 |
| 2' (CH) | 74 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.4 |
