Spektraris NMR
C-3'-Hydroxy-demethylrocaglamide
Common Name: C-3'-Hydroxy-demethylrocaglamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H29NO8/c1-29-26(32)22-23(15-8-6-5-7-9-15)28(16-10-11-19(35-3)18(30)12-16)27(33,25(22)31)24-20(36-4)13-17(34-2)14-21(24)37-28/h5-14,22-23,25,30-31,33H,1-4H3,(H,29,32)/t22-,23-,25-,27+,28+/m1/s1
InChIKey: InChIKey=DAJQAGPFCQEWFJ-GWNOIRNCSA-N
Formula: C28H29N1O8
Molecular Weight: 507.532869
Exact Mass: 507.189317
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 (CH) | 80.7 |
| 2 (CH) | 52.8 |
| 3 (CH) | 56.8 |
| 5 (CH) | 90 |
| 6 (C) | 165.2 |
| 7 (CH) | 93 |
| 8 (C) | 159.4 |
| 9 (C) | 102.6 |
| 10 (C) | 162.3 |
| 11 (C) | 109.4 |
| 12 (C) | 95.1 |
| 1' (C) | 130.2 |
| 2' (CH) | 116.8 |
| 3' (C) | 146 |
| 4' (C) | 147.7 |
| 5' (CH) | 111.1 |
| 6' (CH) | 120.8 |
| 1'' (C) | 139.1 |
| 2'' (CH) | 128.5 |
| 3'' (CH) | 129.3 |
| 4'' (CH) | 127.2 |
| 5'' (CH) | 129.3 |
| 6'' (CH) | 128.5 |
| 2a (C) | 173.4 |
| 2b (CH3) | 26.3 |
| 6a (CH3) | 56.2 |
| 8a (CH3) | 56.1 |
| 4'a (CH3) | 56 |
