Spektraris NMR
Itols B
Common Name: Itols B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O7/c1-9-5-6-17(23)11(9)14-20(26)12-13(22)19(25,10(2)7-21)16(20,4)18(24,27-14)8-15(12,17)3/h9-14,21-26H,5-8H2,1-4H3/t9-,10?,11+,12+,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=CEZWUQREWPYQQM-XALMQURDSA-N
Formula: C20H32O7
Molecular Weight: 384.464657
Exact Mass: 384.214803
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chai, X.Y., Bai, C.C., Shi, H.M., Xu, Z.R., Ren, H.Y., Li, F.F., Lu, Y.N., Song, Y.L., Tu, P.F. Tetrahedron (2008) 64, 5743-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ryanodanes; 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) | 53.9 |
| 2 (CH) | 36.8 |
| 3 (CH2) | 35.2 |
| 4 (CH2) | 37.4 |
| 5 (C) | 88.2 |
| 6 (CH) | 76 |
| 7 (C) | 90.5 |
| 8 (CH) | 57.3 |
| 9 (C) | 42.2 |
| 10 (CH2) | 45.3 |
| 11 (C) | 105.6 |
| 12 (C) | 62.9 |
| 13 (C) | 83.7 |
| 14 (CH) | 79.5 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 10.4 |
| 18 (CH) | 42.7 |
| 19 (CH3) | 13.9 |
| 20 (CH2) | 66.2 |
