Spektraris NMR
Alkannin b-acetoxyisovalerate
Common Name: Alkannin b-acetoxyisovalerate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-12(2)6-9-18(30-19(28)11-23(4,5)31-13(3)24)14-10-17(27)20-15(25)7-8-16(26)21(20)22(14)29/h6-8,10,18,25-26H,9,11H2,1-5H3/t18-/m0/s1
InChIKey: InChIKey=BQSAGDWOHVQNFB-SFHVURJKSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Papageorgiou, V.P. Planta Med (1980) 40, 305-7
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) | 177.2 |
| 2 (C) | 148 |
| 3 (CH) | 131.1 |
| 4 (C) | 175.7 |
| 5 (C) | 168.7 |
| 6 (CH) | 132.9 |
| 7 (CH) | 132.6 |
| 8 (C) | 167.3 |
| 9 (C) | 111.4 |
| 10 (C) | 111.4 |
| 1' (CH) | 69.6 |
| 2' (CH2) | 32.9 |
| 3' (CH) | 117.5 |
| 4' (C) | 135.8 |
| 5' (CH3) | 25.7 |
| 6' (CH3) | 17.9 |
| 1'' (C) | 170.1 |
| 2'' (CH2) | 44.3 |
| 3'' (C) | 79.2 |
| 4'' (CH3) | 26.5 |
| 5'' (CH3) | 26.6 |
| 3''a (C) | 169.6 |
| 3''b (CH3) | 22.3 |
