Spektraris NMR
onitioside A
Common Name: onitioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O9/c1-9-11(4-5-22)10(2)15(24)12-6-21(3,19(28)14(9)12)8-29-20-18(27)17(26)16(25)13(7-23)30-20/h13,16-18,20,22-27H,4-8H2,1-3H3/t13-,16-,17+,18-,20-,21+/m1/s1
InChIKey: InChIKey=JJNRGJMXNCBDKQ-VXYBAJBHSA-N
Formula: C21H30O9
Molecular Weight: 426.458321
Exact Mass: 426.188983
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, M.M., Wang, K., Pan, Z.H., Chen, X.Q., Peng, L.Y., Li, Y., Cheng, X., Zhao, Q.S. Chem Pharm Bull (2009) 57, 1123-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudanes; 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 (C) | 209.5 |
| 2 (C) | 137.9 |
| 3 (C) | 127.5 |
| 4 (CH2) | 60 |
| 5 (CH2) | 32.7 |
| 6 (C) | 136.8 |
| 7 (C) | 130.9 |
| 8 (C) | 150.1 |
| 9 (C) | 130.7 |
| 10 (CH2) | 33.5 |
| 11 (C) | 49.7 |
| 12 (CH2) | 73.5 |
| 13 (CH3) | 21.8 |
| 14 (CH3) | 12.9 |
| 15 (CH3) | 12.7 |
| 1' (CH) | 103.6 |
| 2' (CH) | 73.3 |
| 3' (CH) | 77 |
| 4' (CH) | 70 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 61.1 |
