Spektraris NMR
4-(trans)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
Common Name: 4-(trans)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
Synonyms: 4-(trans)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
CAS Registry Number:
InChI: InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m1/s1
InChIKey: InChIKey=QDNOAZOXGLUUEB-CHWSQXEVSA-N
Formula: C13H14O5
Molecular Weight: 250.247762
Exact Mass: 250.084124
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ingkaninan, K., AP, I.J., Verpoorte, R. J Nat Prod (2000) 63, 315-7
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) | 202.3 |
| 2 (CH2) | 49.1 |
| 3 (C) | 72.2 |
| 4 (CH) | 64.3 |
| 5 (CH) | 109.8 |
| 6 (C) | 166.3 |
| 7 (CH) | 102.5 |
| 8 (C) | 166.9 |
| 9 (C) | 110.6 |
| 10 (C) | 144.6 |
| 3a (CH3) | 27.6 |
| 4a (C) | 208.3 |
| 4b (CH3) | 32.5 |
