Spektraris NMR
Ophioglonol 4'-O-B-D-glucopyranoside
Common Name: Ophioglonol 4'-O-B-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O12/c23-6-10-17(28)16-12(27)4-9(25)5-14(16)32-21(10)8-1-2-13(11(26)3-8)33-22-20(31)19(30)18(29)15(7-24)34-22/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1
InChIKey: InChIKey=XTPXAOSAGWJNDB-VQIXPAPJSA-N
Formula: C22H22O12
Molecular Weight: 478.403745
Exact Mass: 478.111126
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lin, Y.L., Shen, C.C., Huang, Y.J., Chang, Y.Y. J Nat Prod (2005) 68, 381-4
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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 |
|---|---|
| 2 (C) | 163.5 |
| 3 (C) | 117.3 |
| 4 (C) | 180.9 |
| 5 (C) | 161.4 |
| 6 (CH) | 99.6 |
| 7 (C) | 161.5 |
| 8 (CH) | 94.1 |
| 9 (C) | 157.4 |
| 10 (C) | 102.1 |
| 1' (C) | 126.1 |
| 2' (CH) | 116.4 |
| 3' (C) | 146.7 |
| 4' (C) | 147.9 |
| 5' (CH) | 115.6 |
| 6' (CH) | 120.5 |
| 1'' (CH) | 101.6 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 75.9 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 60.7 |
| 3a (CH2) | 53.5 |
