Spektraris NMR
(4R,6R)-Dihydroxy-4-[10(Z)-heptadecenyl]-2-cyclohexenone
![(4R,6R)-Dihydroxy-4-[10(Z)-heptadecenyl]-2-cyclohexenone](/nmr/static/nmr/svg/19215.svg)
Common Name: (4R,6R)-Dihydroxy-4-[10(Z)-heptadecenyl]-2-cyclohexenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)20-21(24)17-18-22(23)25/h7-8,17-18,21,24,26H,2-6,9-16,19-20H2,1H3/b8-7-/t21-,23+/m0/s1
InChIKey: InChIKey=AZLPKFHGVUGZAE-KLHDVOOMSA-N
Formula: C23H40O3
Molecular Weight: 364.562771
Exact Mass: 364.297745
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hoarau, C., Pettus, T.R.R. Org Lett (2006) 8, 2843-6
Species:
Notes: Family : Aromatics, Type : Benzoquinones; 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) | 200.88 |
| 2 (CH) | 126.58 |
| 3 (CH) | 150.33 |
| 4 (CH) | 74.59 |
| 5 (CH2) | 41.17 |
| 6 (C) | 64.04 |
| 6a (CH2) | 38.88 |
| 6b (CH2) | 38.88 |
| 6c (CH2) | 38.88 |
| 6d (CH2) | 38.88 |
| 6e (CH2) | 38.88 |
| 6f (CH2) | 38.88 |
| 6g (CH2) | 38.88 |
| 6h (CH2) | 38.88 |
| 6i (CH2) | 27.21 |
| 6j (CH) | 129.9 |
| 6k (CH) | 129.84 |
| 6l (CH2) | 27.21 |
| 6m (CH2) | 27.21 |
| 6n (CH2) | 27.21 |
| 6o (CH2) | 27.21 |
| 6p (CH2) | 27.21 |
| 6q (CH3) | 14.13 |
