Spektraris NMR
Orientaloside
Common Name: Orientaloside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O13/c1-9-6-11-4-3-5-12(16(11)19(31)15(9)10(2)28)35-25-22(34)23(18(30)14(8-27)37-25)38-24-21(33)20(32)17(29)13(7-26)36-24/h3-6,13-14,17-18,20-27,29-34H,7-8H2,1-2H3/t13-,14-,17-,18-,20+,21-,22-,23+,24+,25-/m1/s1
InChIKey: InChIKey=PFGAJVHSRWCMOQ-PKCJLHEISA-N
Formula: C25H32O13
Molecular Weight: 540.514766
Exact Mass: 540.184291
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Demirezer O., Kuruuzum A., Bergere I., Schiewe H.J., Zeeck A. Phytochemistry (2001) 56, 399-402
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthalenes; 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) | 152.65 |
| 2 (C) | 126.57 |
| 3 (C) | 138.94 |
| 4 (CH) | 118.56 |
| 5 (CH) | 123.99 |
| 6 (CH) | 128.62 |
| 7 (CH) | 112.92 |
| 8 (C) | 157.14 |
| 9 (C) | 114.3 |
| 10 (C) | 135.14 |
| 1' (CH) | 105.3 |
| 2' (CH) | 73.65 |
| 3' (CH) | 75.04 |
| 4' (CH) | 71.69 |
| 5' (CH) | 78.09 |
| 6' (CH2) | 62.55 |
| 1'' (CH) | 99.99 |
| 2'' (CH) | 73.71 |
| 3'' (CH) | 75.24 |
| 4'' (CH) | 71.42 |
| 5'' (CH) | 77.25 |
| 6'' (CH2) | 67.51 |
| 2a (C) | 208.26 |
| 2b (CH3) | 31.13 |
| 3a (CH3) | 20.47 |
