Spektraris NMR
2-deoxo-8-O-acetyl pumilin
Common Name: 2-deoxo-8-O-acetyl pumilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-7-10(2)20(24)28-17-12(4)15-9-8-11(3)22(15,26)19-16(13(5)21(25)29-19)18(17)27-14(6)23/h7-8,16-19,26H,5,9H2,1-4,6H3/b10-7-/t16-,17-,18-,19+,22-/m1/s1
InChIKey: InChIKey=WHXLWWIXANDURR-QWNQIIKESA-N
Formula: C22H26O7
Molecular Weight: 402.438484
Exact Mass: 402.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Hamd, H.M.A., Ahmed, A.A., Wollenweber, E., Bohm, B., Asakawa, Y. Chem Pharm Bull (2006) 54, 152-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 129.9 |
| 2 (CH2) | 35.8 |
| 3 (CH) | 127.4 |
| 4 (C) | 142.4 |
| 5 (C) | 81.8 |
| 6 (CH) | 83.4 |
| 7 (CH) | 45.7 |
| 8 (CH) | 69.7 |
| 9 (CH) | 72.7 |
| 10 (C) | 138.8 |
| 11 (C) | 137 |
| 12 (C) | 168.8 |
| 13 (CH2) | 120.5 |
| 14 (CH3) | 15.7 |
| 15 (CH3) | 13.9 |
| 8a (C) | 170 |
| 8b (CH3) | 21 |
| 9a (C) | 166.5 |
| 9b (C) | 126.8 |
| 9c (CH) | 141.5 |
| 9d (CH3) | 20.5 |
| 9e (CH3) | 16 |
