Spektraris NMR
4',6'-Diacetyl-viburnolide A
Common Name: 4',6'-Diacetyl-viburnolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O15/c1-10(26)34-9-16-20(36-11(2)27)18(31)19(32)22(37-16)40-25-21(15(29)8-35-25)38-23(33)24(25)14(7-17(30)39-24)12-3-5-13(28)6-4-12/h3-6,14-16,18-22,28-29,31-32H,7-9H2,1-2H3/t14-,15+,16+,18-,19+,20+,21-,22-,24-,25-/m1/s1
InChIKey: InChIKey=QHPQAHUEQHZVON-BMEZNHJSSA-N
Formula: C25H28O15
Molecular Weight: 568.481812
Exact Mass: 568.14282
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) | 175.6 |
| 3 (CH2) | 34.2 |
| 4 (CH) | 45.4 |
| 5 (C) | 90.8 |
| 6 (C) | 171.8 |
| 8 (CH) | 89 |
| 9 (C) | 109.1 |
| 11 (CH2) | 77.8 |
| 12 (CH) | 74.6 |
| 13 (C) | 123.9 |
| 14 (CH) | 131.1 |
| 15 (CH) | 116.7 |
| 16 (C) | 159.1 |
| 17 (CH) | 116.7 |
| 18 (CH) | 131.1 |
| 1' (CH) | 97.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 75.2 |
| 4' (CH) | 71.3 |
| 5' (CH) | 73.8 |
| 6' (CH2) | 62.7 |
| 4'a (C) | 171.6 |
| 4'b (CH3) | 20.9 |
| 6'a (C) | 172.3 |
| 6'b (CH3) | 20.8 |
