Spektraris NMR
Saprosmosides H
Common Name: Saprosmosides H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O21S/c1-56-34(46)49-7-11-2-14(38)20-12(8-47-31(19(11)20)54-32-26(43)24(41)22(39)16(5-36)51-32)29(45)53-27-25(42)23(40)17(6-37)52-33(27)55-30-18-10(4-35)3-15-21(18)13(9-48-30)28(44)50-15/h2-3,8-9,14-27,30-33,35-43H,4-7H2,1H3/t14-,15-,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,30-,31-,32-,33-/m0/s1
InChIKey: InChIKey=WGKFNKQBTTUDPE-JGCYJKOTSA-N
Formula: C34H42O21S1
Molecular Weight: 818.75212
Exact Mass: 818.193929
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) | 101.6 |
| 3 (CH) | 156.2 |
| 4 (C) | 107.7 |
| 5 (CH) | 42.8 |
| 6 (CH) | 75.1 |
| 7 (CH) | 132.9 |
| 8 (C) | 146.1 |
| 9 (CH) | 46 |
| 10 (CH2) | 66.2 |
| 11 (C) | 167.5 |
| 1' (CH) | 101 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 94.1 |
| 3'' (CH) | 150 |
| 4'' (C) | 106.6 |
| 5'' (CH) | 37.6 |
| 6'' (CH) | 86.4 |
| 7'' (CH) | 128.6 |
| 8'' (C) | 149.5 |
| 9'' (CH) | 44.7 |
| 10'' (CH2) | 60.1 |
| 11'' (C) | 172 |
| 1''' (CH) | 98.4 |
| 2''' (CH) | 74.3 |
| 3''' (CH) | 75.5 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 78.4 |
| 6''' (CH2) | 62.6 |
| 10a (C) | 172.9 |
| 10b (CH3) | 13.6 |
