Spektraris NMR
4',6'-Diacetyl-12-coumaroyl-viburnolide A
Common Name: 4',6'-Diacetyl-12-coumaroyl-viburnolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H34O17/c1-16(35)44-14-23-29(46-17(2)36)27(41)28(42)31(48-23)51-34-30(24(15-45-34)47-25(39)12-5-18-3-8-20(37)9-4-18)49-32(43)33(34)22(13-26(40)50-33)19-6-10-21(38)11-7-19/h3-12,22-24,27-31,37-38,41-42H,13-15H2,1-2H3/b12-5+/t22-,23+,24+,27-,28+,29+,30-,31-,33-,34-/m1/s1
InChIKey: InChIKey=VZJTUABWBMICNX-SFOQCQSSSA-N
Formula: C34H34O17
Molecular Weight: 714.62489
Exact Mass: 714.1796
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Schmidt J. Phytochemistry (2002) 61, 873-78
Species:
Notes: Family : Miscellanea; 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 |
|---|---|
| 2 (C) | 175.5 |
| 3 (CH2) | 34.3 |
| 4 (CH) | 45.3 |
| 5 (C) | 90.7 |
| 6 (C) | 171.6 |
| 8 (CH) | 87.1 |
| 9 (C) | 109.1 |
| 11 (CH2) | 76 |
| 12 (CH) | 76.2 |
| 13 (C) | 123.8 |
| 14 (CH) | 131 |
| 15 (CH) | 116.7 |
| 16 (C) | 159.1 |
| 17 (CH) | 116.7 |
| 18 (CH) | 131 |
| 1' (CH) | 97.3 |
| 2' (CH) | 74.6 |
| 3' (CH) | 75.6 |
| 4' (CH) | 71.2 |
| 5' (CH) | 73.6 |
| 6' (CH2) | 62.7 |
| 12a (C) | 167.8 |
| 12b (CH) | 113.8 |
| 12c (CH) | 147.8 |
| 12d (C) | 126.9 |
| 12e (CH) | 131.4 |
| 12f (CH) | 116.7 |
| 12g (C) | 161.4 |
| 12h (CH) | 116.7 |
| 12i (CH) | 131.4 |
| 4'a (C) | 171.6 |
| 4'b (CH3) | 20.9 |
| 6'a (C) | 172.4 |
| 6'b (CH3) | 20.8 |
