Spektraris NMR
Adinoside A
Common Name: Adinoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O11/c1-4-10-11(6-5-7-14(22)27-2)12(18(26)28-3)9-29-19(10)31-20-17(25)16(24)15(23)13(8-21)30-20/h4-6,9-11,13,15-17,19-21,23-25H,1,7-8H2,2-3H3/b6-5+/t10-,11+,13-,15-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=ZSQNSOMLDLXYKB-GBIRRNSISA-N
Formula: C20H28O11
Molecular Weight: 444.430513
Exact Mass: 444.163162
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Itoh, A., Fujii, K., Tomatsu, S., Takao, C., Tanahashi, T., Nagakura, N., Chen, C.C. J Nat Prod (2003) 66, 1212-6
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) | 97.4 |
| 3 (CH) | 154.2 |
| 4 (C) | 109.5 |
| 5 (CH) | 39.6 |
| 6 (CH) | 133.6 |
| 7 (CH) | 126.5 |
| 8 (CH) | 135.8 |
| 9 (CH) | 46.3 |
| 10 (CH2) | 118.9 |
| 11 (C) | 168.8 |
| 1' (CH) | 100.3 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.8 |
| 7a (CH2) | 38.3 |
| 7b (C) | 174 |
| 7ba (CH3) | 51.8 |
| 11a (CH3) | 52.4 |
