Spektraris NMR
Itol B-20-O-β-D-glucopyranoside
Common Name: Itol B-20-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O12/c1-10-5-6-23(32)13(10)19-26(35)17-18(31)25(34,22(26,4)24(33,38-19)9-21(17,23)3)11(2)8-36-20-16(30)15(29)14(28)12(7-27)37-20/h10-20,27-35H,5-9H2,1-4H3/t10-,11?,12-,13+,14-,15+,16-,17+,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
InChIKey: InChIKey=IRVIMTNNCPKYIG-DAZDIEILSA-N
Formula: C26H42O12
Molecular Weight: 546.605504
Exact Mass: 546.267627
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) | 54 |
| 2 (CH) | 36.9 |
| 3 (CH2) | 35.2 |
| 4 (CH2) | 37.4 |
| 5 (C) | 88.2 |
| 6 (CH) | 76 |
| 7 (C) | 90.4 |
| 8 (CH) | 57.1 |
| 9 (C) | 42.3 |
| 10 (CH2) | 45.3 |
| 11 (C) | 105.7 |
| 12 (C) | 62.9 |
| 13 (C) | 83 |
| 14 (CH) | 78.6 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 22.2 |
| 17 (CH3) | 10.5 |
| 18 (CH) | 40.5 |
| 19 (CH3) | 14.6 |
| 20 (CH2) | 75.1 |
| 1' (CH) | 104.5 |
| 2' (CH) | 74.4 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63 |
