Spektraris NMR
(-)-herbertene-1,12-diol
Common Name: (-)-herbertene-1,12-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-14(2)7-4-8-15(14,3)12-9-11(10-16)5-6-13(12)17/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t15-/m1/s1
InChIKey: InChIKey=RWMTZMQSBMDBRO-OAHLLOKOSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Zapp, J., Becker, H. Phytochemistry (2003) 64, 1335-40
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) | 154.3 |
| 2 (CH) | 117 |
| 3 (CH) | 126.1 |
| 4 (C) | 132.4 |
| 5 (CH) | 128.9 |
| 6 (C) | 133.5 |
| 7 (C) | 51.1 |
| 8 (CH2) | 39.5 |
| 9 (CH2) | 20.3 |
| 10 (CH2) | 41.3 |
| 11 (C) | 44.7 |
| 12 (CH2) | 65.6 |
| 13 (CH3) | 22.8 |
| 14 (CH3) | 25.6 |
| 15 (CH3) | 27 |
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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.