Spektraris NMR
Aquaticoside C
Common Name: Aquaticoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O11/c1-10-14(24)7-12-13(20(28)29)8-32-22(16(10)12)34-23-19(27)18(26)17(25)15(33-23)9-31-21(30)11-5-3-2-4-6-11/h2-6,8,12,14-19,22-27H,1,7,9H2,(H,28,29)/t12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1
InChIKey: InChIKey=YNPRPYLCRQBHMQ-JJOYARITSA-N
Formula: C23H26O11
Molecular Weight: 478.446839
Exact Mass: 478.147512
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Harput, U.S., Varel, M., Nagatsu, A., Saracoglu, I. Phytochemistry (2004) 65, 2135-9
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) | 96.77 |
| 3 (CH) | 151.59 |
| 4 (C) | 113.99 |
| 5 (CH) | 32.52 |
| 6 (CH2) | 41.12 |
| 7 (CH) | 73.92 |
| 8 (C) | 152.92 |
| 9 (CH) | 44.81 |
| 10 (CH2) | 113.09 |
| 11 (C) | 173 |
| 1' (CH) | 100.18 |
| 2' (CH) | 74.78 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.97 |
| 5' (CH) | 75.59 |
| 6' (CH2) | 64.96 |
| 6'a (C) | 167.8 |
| 6'b (C) | 131.42 |
| 6'c (CH) | 130.59 |
| 6'd (CH) | 129.66 |
| 6'e (CH) | 134.36 |
| 6'f (CH) | 129.66 |
| 6'g (CH) | 130.59 |
