Spektraris NMR
Apiosporic acid
Common Name: Apiosporic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H20O3/c1-8-2-4-10-6-9(7-14)3-5-11(10)12(8)13(15)16/h2,4,8-12,14H,3,5-7H2,1H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1
InChIKey: InChIKey=LQQYYLGWHXPFKQ-LZQZFOIKSA-N
Formula: C13H20O3
Molecular Weight: 224.296597
Exact Mass: 224.141245
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Klemke, C., Kehraus, S., Wright, A.D., Konig, G.M. J Nat Prod (2004) 67, 1058-63
Species:
Notes: Family : Polyketides; 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 (CH) | 131.6 |
| 2 (CH) | 131.8 |
| 3 (CH) | 32.9 |
| 4 (CH) | 49.7 |
| 5 (CH) | 37.4 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 30.4 |
| 8 (CH) | 41.9 |
| 9 (CH2) | 36.9 |
| 10 (CH) | 42.1 |
| 11 (CH2) | 68.1 |
| 12 (C) | 174.7 |
| 13 (CH3) | 18 |
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