Spektraris NMR
Uprolide K acetate
Common Name: Uprolide K acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13-8-6-9-21(4,27-15(3)23)10-7-11-22(5)17(28-22)12-16-14(2)20(25)26-19(16)18(13)24/h7,10,13,16-17,19H,2,6,8-9,11-12H2,1,3-5H3/b10-7+/t13-,16+,17-,19-,21+,22-/m1/s1
InChIKey: InChIKey=DIHRMBHCZSHQKA-VGJWCWJPSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Y.P., Rodriguez, A.D., Barnes, C.L., Sanchez, J.A., Raptis, R.G., Baran, P. J Nat Prod (2002) 65, 1232-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 40.5 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 55.7 |
| 4 (C) | 60.3 |
| 5 (CH2) | 38.5 |
| 6 (CH) | 122.2 |
| 7 (CH) | 139.4 |
| 8 (C) | 83.4 |
| 9 (CH2) | 41.3 |
| 10 (CH2) | 21.3 |
| 11 (CH2) | 30.1 |
| 12 (CH) | 41.8 |
| 13 (C) | 211 |
| 14 (CH) | 79.5 |
| 15 (C) | 138.7 |
| 16 (C) | 168.4 |
| 17 (CH2) | 123.1 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 25.1 |
| 20 (CH3) | 18.9 |
| 8a (C) | 170.9 |
| 8b (CH3) | 22.2 |
