Spektraris NMR
Herbertenone A
Common Name: Herbertenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-13(2)7-5-8-15(13,4)11-10-14(3,17)9-6-12(11)16/h6,9-10,17H,5,7-8H2,1-4H3/t14-,15+/m0/s1
InChIKey: InChIKey=IAHVMQAYDBMMQB-LSDHHAIUSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Irita, H., Hashimoto, T., Fukuyama, Y., Asakawa, Y. Phytochemistry (2000) 55, 247-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Herbertanes; 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) | 185.7 |
| 2 (CH) | 129.3 |
| 3 (CH) | 148.7 |
| 4 (C) | 68.1 |
| 5 (CH) | 148 |
| 6 (C) | 142.6 |
| 7 (C) | 50.4 |
| 8 (CH2) | 38.7 |
| 9 (CH2) | 20.1 |
| 10 (CH2) | 41.6 |
| 11 (C) | 43.7 |
| 12 (CH3) | 27.5 |
| 13 (CH3) | 22.3 |
| 14 (CH3) | 25.5 |
| 15 (CH3) | 27.5 |
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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.