Spektraris NMR
Randinoside
Common Name: Randinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O20/c1-32(44)5-3-12-15(10-47-28(18(12)32)52-30-24(40)22(38)20(36)16(7-34)50-30)27(43)49-11-33(45)6-4-13-14(26(42)46-2)9-48-29(19(13)33)53-31-25(41)23(39)21(37)17(8-35)51-31/h4,6,9-10,12-13,16-25,28-31,34-41,44-45H,3,5,7-8,11H2,1-2H3/t12-,13-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,28+,29+,30+,31+,32+,33-/m1/s1
InChIKey: InChIKey=OPUOJUNLPSQCAF-NSVCACQWSA-N
Formula: C33H46O20
Molecular Weight: 762.707658
Exact Mass: 762.258244
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hamerski, L., Furlan, M., Silva, D.H., Cavalheiro, A.J., Eberlin, M.N., Tomazela, D.M., da Silva Bolzani, V. Phytochemistry (2003) 63, 397-400
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 94.3 |
| 3 (CH) | 151.9 |
| 4 (C) | 111.5 |
| 5 (CH) | 38.8 |
| 6 (CH) | 135.6 |
| 7 (CH) | 135.8 |
| 8 (C) | 86.2 |
| 9 (CH) | 52.3 |
| 10 (CH2) | 67.1 |
| 11 (C) | 168.9 |
| 1' (CH) | 95.9 |
| 3' (CH) | 150 |
| 4' (C) | 108.9 |
| 5' (CH) | 32.2 |
| 6' (CH2) | 30.7 |
| 7' (CH2) | 40.8 |
| 8' (C) | 80.5 |
| 9' (CH) | 52.4 |
| 10' (CH3) | 24.6 |
| 11' (C) | 169.9 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 74.7 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 62.9 |
| 1''' (CH) | 99.8 |
| 2''' (CH) | 74.6 |
| 3''' (CH) | 77.9 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.3 |
| 6''' (CH2) | 62.7 |
| 11a (CH3) | 51.7 |
