Spektraris NMR
Shinanolone
Common Name: Shinanolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m1/s1
InChIKey: InChIKey=JOCZVRFSKAUXRP-MRVPVSSYSA-N
Formula: C11H12O3
Molecular Weight: 192.211599
Exact Mass: 192.078644
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Weigenand, O., Hussein, A.A., Lall, N., Meyer, J.J. J Nat Prod (2004) 67, 1936-8
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthoquinones; 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) | 203.5 |
| 2 (CH2) | 34.5 |
| 3 (CH2) | 31.3 |
| 4 (CH) | 67.7 |
| 5 (CH) | 118.5 |
| 6 (C) | 145 |
| 7 (CH) | 117.3 |
| 8 (C) | 162.8 |
| 9 (C) | 113.5 |
| 10 (C) | 148.7 |
| 6a (CH3) | 22.2 |
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