Spektraris NMR
Alkannin isovalerate
Common Name: Alkannin isovalerate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,10,12,17,22-23H,8-9H2,1-4H3/t17-/m0/s1
InChIKey: InChIKey=UTOUNDHZJFIVPK-KRWDZBQOSA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Syu, W.J., Li, S.Y., Lin, C.H., Lee, G.H., Sun, C.M. J Nat Prod (2002) 65, 1857-62
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthazarins; 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) | 176.7 |
| 2 (C) | 148.5 |
| 3 (CH) | 131.5 |
| 4 (C) | 178.2 |
| 5 (C) | 166.9 |
| 6 (CH) | 132.9 |
| 7 (CH) | 132.7 |
| 8 (C) | 167.5 |
| 9 (C) | 111.8 |
| 10 (C) | 111.6 |
| 1' (CH) | 69.1 |
| 2' (CH2) | 33 |
| 3' (CH) | 117.9 |
| 4' (C) | 136 |
| 5' (CH3) | 25.7 |
| 6' (CH3) | 17.9 |
| 1'' (C) | 171.8 |
| 2'' (CH2) | 43.3 |
| 3'' (CH) | 25.8 |
| 4'' (CH3) | 22.3 |
| 5'' (CH3) | 22.4 |
