Spektraris NMR
Saprosmosides G
Common Name: Saprosmosides G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O21/c33-3-9-1-13(36)19-11(27(44)45)6-48-29(17(9)19)53-32-26(43)24(41)22(39)16(51-32)8-47-28(46)12-7-49-30(18-10(4-34)2-14(37)20(12)18)52-31-25(42)23(40)21(38)15(5-35)50-31/h1-2,6-7,13-26,29-43H,3-5,8H2,(H,44,45)/t13-,14-,15+,16+,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,29-,30-,31-,32-/m0/s1
InChIKey: InChIKey=GQEYSOSQWZICDM-ANCHEDJZSA-N
Formula: C32H42O21
Molecular Weight: 762.664564
Exact Mass: 762.221858
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ling, S.K., Komorita, A., Tanaka, T., Fujioka, T., Mihashi, K., Kouno, I. Chem Pharm Bull (2002) 50, 1035-40
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) | 101.7 |
| 3 (CH) | 155.8 |
| 4 (C) | 108.1 |
| 5 (CH) | 42.7 |
| 6 (CH) | 75.6 |
| 7 (CH) | 130.2 |
| 8 (C) | 151.2 |
| 9 (CH) | 45.8 |
| 10 (CH2) | 61.7 |
| 11 (C) | 168.9 |
| 1' (CH) | 100.5 |
| 2' (CH) | 75 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 101.6 |
| 3'' (CH) | 155.4 |
| 4'' (C) | 108.4 |
| 5'' (CH) | 42.7 |
| 6'' (CH) | 75.2 |
| 7'' (CH) | 130.6 |
| 8'' (C) | 151 |
| 9'' (CH) | 45.8 |
| 10'' (CH2) | 61.7 |
| 11'' (C) | 170.8 |
| 1''' (CH) | 100.5 |
| 2''' (CH) | 75 |
| 3''' (CH) | 77.6 |
| 4''' (CH) | 71.6 |
| 5''' (CH) | 75.7 |
| 6''' (CH2) | 64.1 |
