Spektraris NMR
Itols A
Common Name: Itols A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-9(2)19(24)13(21)12-15(4)8-18(23)16(19,5)20(12,25)14(26-18)11-10(3)6-7-17(11,15)22/h9-14,21-25H,6-8H2,1-5H3/t10-,11+,12+,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=HMPXQDVZEWENGB-FEDRIMPNSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
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) | 36.9 |
| 3 (CH2) | 35.2 |
| 4 (CH2) | 37.3 |
| 5 (C) | 88.3 |
| 6 (CH) | 75.9 |
| 7 (C) | 90.8 |
| 8 (CH) | 57.4 |
| 9 (C) | 42.1 |
| 10 (CH2) | 45.3 |
| 11 (C) | 105.7 |
| 12 (C) | 62.5 |
| 13 (C) | 83.5 |
| 14 (CH) | 79.2 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 10.4 |
| 18 (CH) | 35 |
| 19 (CH3) | 18.8 |
| 20 (CH3) | 18.3 |
