Spektraris NMR
C-3'-Methoxy-methylrocaglate
Common Name: C-3'-Methoxy-methylrocaglate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H29NO9/c1-34-18-14-21(37-4)25-22(15-18)39-29(17-11-12-19(35-2)20(13-17)36-3)24(16-9-7-6-8-10-16)23(27(31)38-5)26(30-33)28(25,29)32/h6-15,23-24,32-33H,1-5H3/b30-26+/t23-,24-,28+,29+/m1/s1
InChIKey: InChIKey=RQJAGENZDNXASS-JNPSFANTSA-N
Formula: C29H29N1O9
Molecular Weight: 535.54301
Exact Mass: 535.184232
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nugroho, B.W., Edrada, R.A., Wray, V., Witte, L., Bringmann, G., Gehling, M., Proksch, P. Phytochemistry (1999) 51, 367-76
Species:
Notes: Family : Flavonoids, Type : Flavaglines; 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) | 153 |
| 2 (CH) | 57.1 |
| 3 (CH) | 57.2 |
| 5 (CH) | 89.9 |
| 6 (C) | 165.3 |
| 7 (CH) | 93.8 |
| 8 (C) | 160.3 |
| 9 (C) | 105.7 |
| 10 (C) | 161.3 |
| 11 (C) | 110 |
| 12 (C) | 117 |
| 1' (C) | 128.7 |
| 2' (CH) | 113.2 |
| 3' (C) | 149.3 |
| 4' (C) | 149.5 |
| 5' (CH) | 111.5 |
| 6' (CH) | 121.4 |
| 1'' (C) | 136.7 |
| 2'' (CH) | 129.4 |
| 3'' (CH) | 128.7 |
| 4'' (CH) | 128 |
| 5'' (CH) | 128.7 |
| 6'' (CH) | 129.4 |
| 2a (C) | 171.7 |
| 2b (CH3) | 57.5 |
| 6a (CH3) | 56.1 |
| 8a (CH3) | 56.1 |
| 3'a (CH3) | 56.3 |
| 4'a (CH3) | 56.3 |
