Spektraris NMR
Tetraacetylviburnolide A
Common Name: Tetraacetylviburnolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H32O17/c1-12(30)38-10-19-23(41-14(3)32)22(36)24(42-15(4)33)26(43-19)46-29-25(20(11-39-29)40-13(2)31)44-27(37)28(29)18(9-21(35)45-28)16-5-7-17(34)8-6-16/h5-8,18-20,22-26,34,36H,9-11H2,1-4H3/t18-,19+,20+,22+,23+,24+,25-,26-,28-,29-/m1/s1
InChIKey: InChIKey=IFUGOZKKYGPOOE-SRANQPJQSA-N
Formula: C29H32O17
Molecular Weight: 652.555329
Exact Mass: 652.16395
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) | 175.4 |
| 3 (CH2) | 34.1 |
| 4 (CH) | 45.3 |
| 5 (C) | 90.5 |
| 6 (C) | 171.4 |
| 8 (CH) | 86.9 |
| 9 (C) | 109.1 |
| 11 (CH2) | 75 |
| 12 (CH) | 76.2 |
| 13 (C) | 123.5 |
| 14 (CH) | 131 |
| 15 (CH) | 116.8 |
| 16 (C) | 159.2 |
| 17 (CH) | 116.8 |
| 18 (CH) | 131 |
| 1' (CH) | 95.2 |
| 2' (CH) | 73.9 |
| 3' (CH) | 74.4 |
| 4' (CH) | 70.9 |
| 5' (CH) | 73.6 |
| 6' (CH2) | 62.3 |
| 12a (C) | 171.2 |
| 12b (CH3) | 21.4 |
| 2'a (C) | 171 |
| 2'b (CH3) | 20.6 |
| 4'a (C) | 171.3 |
| 4'b (CH3) | 20.8 |
| 6'a (C) | 172.3 |
| 6'b (CH3) | 20.7 |
