Spektraris NMR
Globuloside B
Common Name: Globuloside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O19/c39-11-17-6-7-19-21(15-52-36(25(17)19)57-38-32(47)30(45)28(43)24(13-41)55-38)34(49)53-22-10-18(14-51-33(48)16-4-2-1-3-5-16)26-20(22)8-9-50-35(26)56-37-31(46)29(44)27(42)23(12-40)54-37/h1-5,8-10,15,19-20,22-24,26-32,35-47H,6-7,11-14H2/t19?,20-,22+,23+,24+,26+,27+,28+,29-,30-,31+,32+,35-,36-,37-,38-/m0/s1
InChIKey: InChIKey=DYWZCRDACCTJOZ-HBSUQEQBSA-N
Formula: C38H46O19
Molecular Weight: 806.761932
Exact Mass: 806.263329
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calis, I., Kirmizibekmez, H., Sticher, O. J Nat Prod (2001) 64, 60-4
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) | 96.9 |
| 3 (CH) | 142.1 |
| 4 (CH) | 104.8 |
| 5 (CH) | 42.6 |
| 6 (CH) | 84.6 |
| 7 (CH) | 128.6 |
| 8 (C) | 146 |
| 9 (CH) | 49 |
| 10 (CH2) | 63.7 |
| 1' (CH) | 100 |
| 2' (CH) | 74.8 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 92.3 |
| 3'' (CH) | 152.4 |
| 4'' (C) | 114.2 |
| 5'' (CH) | 39 |
| 6'' (CH2) | 32.4 |
| 7'' (CH2) | 34.8 |
| 8'' (C) | 134.5 |
| 9'' (C) | 142.7 |
| 10'' (CH2) | 59.1 |
| 11'' (C) | 167.6 |
| 1''' (CH) | 100.1 |
| 2''' (CH) | 74.6 |
| 3''' (CH) | 77.9 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 78.3 |
| 6''' (CH2) | 62.6 |
| 10a (C) | 168.5 |
| 10b (C) | 131 |
| 10c (CH) | 130.7 |
| 10d (CH) | 129.7 |
| 10e (CH) | 134.5 |
| 10f (CH) | 129.7 |
| 10g (CH) | 130.7 |
