Spektraris NMR
Uprolide I
Common Name: Uprolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6+/t12-,14+,15-,17-,19-,20-/m1/s1
InChIKey: InChIKey=BTJROEGVRQVIDB-GJRFFEDDSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
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) | 40.4 |
| 2 (CH2) | 29.3 |
| 3 (CH) | 56 |
| 4 (C) | 60.2 |
| 5 (CH2) | 39.1 |
| 6 (CH) | 126.4 |
| 7 (CH) | 136.4 |
| 8 (C) | 84.2 |
| 9 (CH2) | 37.6 |
| 10 (CH2) | 22.1 |
| 11 (CH2) | 30.3 |
| 12 (CH) | 42.3 |
| 13 (C) | 211.2 |
| 14 (CH) | 79.8 |
| 15 (C) | 138.4 |
| 16 (C) | 168.9 |
| 17 (CH2) | 123.3 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 18.9 |
