Spektraris NMR
Taxochinon
Common Name: Taxochinon
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21,23H,6-9H2,1-5H3/t11-,12-,20-/m0/s1
InChIKey: InChIKey=YVSUCPNWDPTGKM-PVUDRZGPSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ruedi, P. Helv Chim Acta (1984) 67, 1116
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.2 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 41.4 |
| 4 (C) | 33.3 |
| 5 (CH) | 49 |
| 6 (CH2) | 26.3 |
| 7 (CH) | 68.1 |
| 8 (C) | 144.5 |
| 9 (C) | 148.1 |
| 10 (C) | 39.5 |
| 11 (C) | 184.1 |
| 12 (C) | 151.2 |
| 13 (C) | 124.5 |
| 14 (C) | 189.9 |
| 15 (CH) | 24 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 18.7 |
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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.