Spektraris NMR
Dehydrobotrydienal
Common Name: Dehydrobotrydienal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h5-7,9H,8H2,1-4H3/t15-/m1/s1
InChIKey: InChIKey=TYEKKGOLTVUTJI-OAHLLOKOSA-N
Formula: C15H18O2
Molecular Weight: 230.302782
Exact Mass: 230.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 129.7 |
| 2 (C) | 140.7 |
| 3 (CH) | 132.2 |
| 4 (CH) | 128.3 |
| 5 (C) | 153.1 |
| 6 (C) | 42.4 |
| 7 (CH2) | 51.3 |
| 8 (C) | 57.9 |
| 9 (C) | 141.2 |
| 10 (CH) | 191.3 |
| 11 (CH3) | 19.2 |
| 12 (CH3) | 30.5 |
| 13 (CH3) | 31.4 |
| 14 (CH3) | 22.1 |
| 15 (CH) | 200.5 |
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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.