Spektraris NMR
10-hydroxy-18-methoxybetaenone
Common Name: 10-hydroxy-18-methoxybetaenone
Synonyms: 10-hydroxy-18-methoxybetaenone
CAS Registry Number:
InChI: InChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13?,14-,16-,17-,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=ONZDNBGTAVEQQN-FJXLOMMUSA-N
Formula: C22H36O6
Molecular Weight: 396.518486
Exact Mass: 396.251189
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Brauers, G., Edrada, R.A., Ebel, R., Proksch, P., Wray, V., Berg, A., Grafe, U., Schachtele, C., Totzke, F., Finkenzeller, G., Marme, D., Kraus, J., Munchbach, M., Michel, M., Bringmann, G., Schaumann, K. J Nat Prod (2000) 63, 739-45
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) | 214.2 |
| 2 (C) | 79.1 |
| 3 (CH) | 56.6 |
| 4 (C) | 53.1 |
| 5 (CH) | 27.2 |
| 6 (CH2) | 49.8 |
| 7 (C) | 72 |
| 8 (CH2) | 45.8 |
| 9 (C) | 77.7 |
| 10 (CH) | 49.3 |
| 2a (CH3) | 24.5 |
| 3a (CH) | 36.8 |
| 3b (CH2) | 26.2 |
| 3c (CH3) | 14 |
| 3aa (CH3) | 23.8 |
| 4a (C) | 206.5 |
| 4b (CH) | 103.7 |
| 4c (CH) | 165.5 |
| 4d (CH3) | 58.8 |
| 4e (CH3) | 21.4 |
| 5a (CH3) | 22.5 |
| 7a (CH3) | 30.8 |
