Spektraris NMR
Tanparthin-α-peroxide
Common Name: Tanparthin-α-peroxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-8-9-4-5-14(3,17)15-7-6-13(2,19-20-15)11(15)10(9)18-12(8)16/h6-7,9-11,17H,1,4-5H2,2-3H3/t9-,10-,11-,13+,14+,15-/m0/s1
InChIKey: InChIKey=ZTOKBJPHHAIUKE-HFSUPIEXSA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, H.F., Brown, G.D. J Nat Prod (2002) 65, 481-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 99.7 |
| 2 (CH) | 134 |
| 3 (CH) | 137.3 |
| 4 (C) | 93.5 |
| 5 (CH) | 69.6 |
| 6 (CH) | 79.6 |
| 7 (CH) | 42.9 |
| 8 (CH2) | 22.9 |
| 9 (CH2) | 33.2 |
| 10 (C) | 71.2 |
| 11 (C) | 140 |
| 12 (C) | 170 |
| 13 (CH2) | 119 |
| 14 (CH3) | 27.7 |
| 15 (CH3) | 13.7 |
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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.