Spektraris NMR
Miliusate
Common Name: Miliusate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-13(2)6-5-7-14(3)10-18-20(12-19(23)25-18)11-16(24-15(4)21)8-9-17(20)22/h6,8-10,16,18H,5,7,11-12H2,1-4H3/b14-10+
InChIKey: InChIKey=PXCPYWFVMWHLIE-GXDHUFHOSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamperdick C., Hong Van N., Van Sung T. Phytochemistry (2002) 61, 991-4
Species:
Notes: Family : Miscellanea; 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) | 81 |
| 3 (C) | 174.5 |
| 4 (CH2) | 37.1 |
| 5 (C) | 52.3 |
| 6 (C) | 194.9 |
| 7 (CH) | 130.9 |
| 8 (CH) | 143.9 |
| 9 (CH) | 65.1 |
| 10 (CH2) | 36.6 |
| 1' (CH) | 118.6 |
| 2' (C) | 144.6 |
| 3' (CH2) | 39.7 |
| 4' (CH2) | 26.1 |
| 5' (CH) | 123.3 |
| 6' (C) | 132.2 |
| 7' (CH3) | 25.8 |
| 8' (CH3) | 17.8 |
| 9' (CH3) | 16.9 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.1 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.