Spektraris NMR
1-[3-Methoxy-4-[2-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-1,3-propanediol
![1-[3-Methoxy-4-[2-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-1,3-propanediol](/nmr/static/nmr/svg/6666.svg)
Common Name: 1-[3-Methoxy-4-[2-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-1,3-propanediol
Synonyms: 1-[3-Methoxy-4-[2-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-1,3-propanediol
CAS Registry Number:
InChI: InChI=1S/C21H32O13/c1-30-13-6-10(11(25)4-5-22)2-3-12(13)32-19-17(16(27)15(26)14(7-23)33-19)34-20-18(28)21(29,8-24)9-31-20/h2-3,6,11,14-20,22-29H,4-5,7-9H2,1H3/t11?,14-,15-,16+,17-,18+,19-,20+,21-/m1/s1
InChIKey: InChIKey=QJLLOFIAGRCJJT-PROUKMOUSA-N
Formula: C21H32O13
Molecular Weight: 492.471822
Exact Mass: 492.184291
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calis, I., Gazar, H.A., Piacente, S., Pizza, C. J Nat Prod (2001) 64, 1179-82
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 140.9 |
| 2 (CH) | 111.1 |
| 3 (C) | 151.1 |
| 4 (C) | 147.2 |
| 5 (CH) | 116.8 |
| 6 (CH) | 119.2 |
| 7 (CH) | 72 |
| 8 (CH2) | 42.5 |
| 9 (CH2) | 60.1 |
| 1' (CH) | 100.8 |
| 2' (CH) | 77.9 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.1 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 110.8 |
| 1'' (CH) | 77.6 |
| 2'' (CH) | 81 |
| 3'' (C) | 74.9 |
| 4'' (CH2) | 66 |
| 5'' (CH2) | 62.2 |
| 3b (CH3) | 56.3 |
