Spektraris NMR
6-O-b-D-Apiofuranosyl-mussaenosidic acid
Common Name: 6-O-b-D-Apiofuranosyl-mussaenosidic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O14/c1-20(29)3-2-8-9(16(27)28)4-31-17(11(8)20)35-18-14(25)13(24)12(23)10(34-18)5-32-19-15(26)21(30,6-22)7-33-19/h4,8,10-15,17-19,22-26,29-30H,2-3,5-7H2,1H3,(H,27,28)/t8-,10-,11-,12-,13+,14-,15+,17+,18+,19-,20+,21-/m1/s1
InChIKey: InChIKey=PKYZXILKVBMCRQ-DSQLMUDDSA-N
Formula: C21H32O14
Molecular Weight: 508.471227
Exact Mass: 508.179206
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom T., Kasai R., Yamasaki K. Phytochemistry (2002) 61, 461-4
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) | 95.6 |
| 3 (CH) | 152.1 |
| 4 (C) | 113.5 |
| 5 (CH) | 32.5 |
| 6 (CH2) | 30.8 |
| 7 (CH2) | 40.5 |
| 8 (C) | 80.4 |
| 9 (CH) | 52.3 |
| 10 (CH3) | 24.8 |
| 11 (C) | 170.8 |
| 1' (CH) | 99.9 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78 |
| 4' (CH) | 71.7 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 68.7 |
| 1'' (CH) | 111 |
| 2'' (CH) | 78 |
| 3'' (C) | 80.8 |
| 4'' (CH2) | 75 |
| 5'' (CH2) | 65.6 |
