Spektraris NMR
9a-Hydroxyfraxinellone-9-O-β-D-glucoside
Common Name: 9a-Hydroxyfraxinellone-9-O-β-D-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O9/c1-9-11(27-19-16(24)15(23)14(22)12(7-21)28-19)3-5-20(2)13(9)18(25)29-17(20)10-4-6-26-8-10/h4,6,8,11-12,14-17,19,21-24H,3,5,7H2,1-2H3/t11-,12-,14-,15+,16-,17+,19-,20-/m1/s1
InChIKey: InChIKey=ADZBWASOZUDACU-NRKKNTPLSA-N
Formula: C20H26O9
Molecular Weight: 410.415822
Exact Mass: 410.157682
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yoon, J.S., Sung, S.H., Kim, Y.C. J Nat Prod (2008) 71, 208-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 |
|---|---|
| 8 (C) | 145.3 |
| 9 (CH) | 75.9 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 26.6 |
| 13 (C) | 42.7 |
| 14 (C) | 129.8 |
| 15 (C) | 168.9 |
| 17 (CH) | 82.1 |
| 18 (CH3) | 18.7 |
| 20 (C) | 120.1 |
| 21 (CH) | 140.2 |
| 22 (CH) | 109 |
| 23 (CH) | 143.8 |
| 30 (CH3) | 15 |
| 1' (CH) | 105.7 |
| 2' (CH) | 73.7 |
| 3' (CH) | 76.7 |
| 4' (CH) | 70 |
| 5' (CH) | 76.7 |
| 6' (CH2) | 61.1 |
