Spektraris NMR
Octahydroeuclein
Common Name: Octahydroeuclein
Synonyms: Octahydroeuclein
CAS Registry Number:
InChI: InChI=1S/C22H22O6/c1-9-5-11-16(25)8-13(21(27)20(11)17(26)6-9)18-10(2)7-12-14(23)3-4-15(24)19(12)22(18)28/h5-7,13-14,21,23,26-28H,3-4,8H2,1-2H3/t13-,14?,21+/m1/s1
InChIKey: InChIKey=XXBQCKGZTFHKKF-FBVQZCABSA-N
Formula: C22H22O6
Molecular Weight: 382.407316
Exact Mass: 382.141638
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 (CH) | 71.5 |
| 2 (CH) | 40.3 |
| 3 (CH2) | 36.2 |
| 4 (C) | 204.3 |
| 5 (CH) | 120.5 |
| 6 (C) | 148.5 |
| 7 (CH) | 117.8 |
| 8 (C) | 160.7 |
| 9 (C) | 144.1 |
| 10 (C) | 112.9 |
| 1' (C) | 160.7 |
| 2' (C) | 125.3 |
| 3' (C) | 147.4 |
| 4' (CH) | 121.1 |
| 5' (CH) | 66.5 |
| 6' (CH2) | 31.1 |
| 7' (CH2) | 34.7 |
| 8' (C) | 204.7 |
| 9' (C) | 113.8 |
| 10' (C) | 144.7 |
| 6a (CH3) | 21.7 |
| 3'a (CH3) | 21.7 |
