Spektraris NMR
Itol A-14-O-β-D-glucopyranoside
Common Name: Itol A-14-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O11/c1-10(2)25(33)19(36-20-16(30)15(29)14(28)12(8-27)35-20)17-21(4)9-24(32)22(25,5)26(17,34)18(37-24)13-11(3)6-7-23(13,21)31/h10-20,27-34H,6-9H2,1-5H3/t11-,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22+,23-,24-,25-,26-/m1/s1
InChIKey: InChIKey=RTHGNAWUIDHPTI-DFPOSPOVSA-N
Formula: C26H42O11
Molecular Weight: 530.606099
Exact Mass: 530.272712
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 |
| 2 (CH) | 36.9 |
| 3 (CH2) | 35.2 |
| 4 (CH2) | 37.4 |
| 5 (C) | 88.3 |
| 6 (CH) | 75.8 |
| 7 (C) | 90.8 |
| 8 (CH) | 52.9 |
| 9 (C) | 42.2 |
| 10 (CH2) | 45.1 |
| 11 (C) | 105.8 |
| 12 (C) | 62.9 |
| 13 (C) | 83.8 |
| 14 (CH) | 83.1 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 21.8 |
| 17 (CH3) | 9.9 |
| 18 (CH) | 35.6 |
| 19 (CH3) | 18.4 |
| 20 (CH3) | 19.1 |
| 1' (CH) | 100.6 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.9 |
