Spektraris NMR
2-deoxo-5-deoxy-8-Oacetyl-17,18 epoxy pumilin
Common Name: 2-deoxo-5-deoxy-8-Oacetyl-17,18 epoxy pumilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-9-7-8-14-10(2)17(28-21(25)22(6)12(4)29-22)19(26-13(5)23)16-11(3)20(24)27-18(16)15(9)14/h7,12,15-19H,3,8H2,1-2,4-6H3/t12?,15-,16-,17+,18+,19+,22?/m0/s1
InChIKey: InChIKey=OBDISXBUEKSDQC-FXDWLFMKSA-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) | 126.3 |
| 2 (CH2) | 38 |
| 3 (CH) | 126.6 |
| 4 (C) | 139.9 |
| 5 (CH) | 54.7 |
| 6 (CH) | 82.1 |
| 7 (CH) | 53.8 |
| 8 (CH) | 70.3 |
| 9 (CH) | 74.6 |
| 10 (C) | 140.1 |
| 11 (C) | 137.1 |
| 12 (C) | 169 |
| 13 (CH2) | 120.6 |
| 14 (CH3) | 15.4 |
| 15 (CH3) | 17.9 |
| 8a (C) | 170 |
| 8b (CH3) | 21 |
| 9a (C) | 169.9 |
| 9b (C) | 59.6 |
| 9c (CH) | 61.2 |
| 9d (CH3) | 14.3 |
| 9e (CH3) | 19.9 |
