Spektraris NMR
Allohedycariol
Common Name: Allohedycariol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-11-6-5-7-12(2)10-14(16)13(9-8-11)15(3,4)17/h7-9,11,13,17H,5-6,10H2,1-4H3/b9-8+,12-7+
InChIKey: InChIKey=LVUDZCAFMMOJBG-RUQWLHCNSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Valle, M.G., Appendino, G., Nano, G.M., Picci, V. Phytochemistry (1987) 26, 253-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 127.1 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 41 |
| 4 (CH) | 40.4 |
| 5 (CH) | 143.9 |
| 6 (CH) | 130.2 |
| 7 (CH) | 58 |
| 8 (C) | 35.6 |
| 9 (CH2) | 28.4 |
| 10 (C) | 131.5 |
| 11 (C) | 71.5 |
| 12 (CH3) | 22.6 |
| 13 (CH3) | 26.7 |
| 14 (CH3) | 16.8 |
| 15 (CH3) | 26.6 |
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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.