Spektraris NMR
Itols D
Common Name: Itols D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O7/c1-9-6-7-17(23)10(9)13-19(25)11-12(21)20(26,14(2,3)22)16(19,5)18(24,27-13)8-15(11,17)4/h9-13,21-26H,6-8H2,1-5H3/t9-,10+,11+,12-,13-,15+,16-,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=DEKVRGVNDKCOTD-SPWUGCASSA-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) | 53.8 |
| 2 (CH) | 37.1 |
| 3 (CH2) | 35.5 |
| 4 (CH2) | 37.8 |
| 5 (C) | 87.9 |
| 6 (CH) | 76.9 |
| 7 (C) | 90.5 |
| 8 (CH) | 57.6 |
| 9 (C) | 42.8 |
| 10 (CH2) | 45.6 |
| 11 (C) | 106.3 |
| 12 (C) | 62.7 |
| 13 (C) | 85.9 |
| 14 (CH) | 74.8 |
| 15 (CH3) | 15.3 |
| 16 (CH3) | 21.8 |
| 17 (CH3) | 11 |
| 18 (C) | 76.7 |
| 19 (CH3) | 28 |
| 20 (CH3) | 26.2 |
