Spektraris NMR
ZINC85645840
Common Name: ZINC85645840
Synonyms: ZINC85645840
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-13(2)17(27-23)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(22)26-20(15)21/h5,7-9,11-12,17,23H,1,4,6,10H2,2-3H3/b14-8+/t17-/m1/s1
InChIKey: InChIKey=ILYZUSHBLPOZIC-LEHPZIBWSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: Y
MHz:
Calibration:
NMR references: 13C - Rashid, M.A., Gray, A.I., Waterman, P.G. J Nat Prod (1992) 55, 851-8
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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 (CH2) | 70.3 |
| 2 (CH) | 120.4 |
| 3 (C) | 142.4 |
| 4 (CH2) | 35.6 |
| 5 (CH2) | 28.8 |
| 6 (CH) | 89.1 |
| 7 (C) | 144.1 |
| 8 (CH2) | 114.6 |
| 9 (CH3) | 17.3 |
| 10 (CH3) | 16.7 |
| 2' (C) | 160.8 |
| 3' (CH) | 115 |
| 4' (CH) | 144.6 |
| 5' (CH) | 113.2 |
| 6' (C) | 126.1 |
| 7' (C) | 148.9 |
| 8' (C) | 131.6 |
| 9' (C) | 143.7 |
| 10' (C) | 116.7 |
| 11' (CH) | 107 |
| 12' (CH) | 146.9 |
