Spektraris NMR
Bisabolatrien-13-ol
Common Name: Bisabolatrien-13-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5-7,15-16H,4,8-11H2,1-3H3/b13-5-,14-6-/t15-/m1/s1
InChIKey: InChIKey=CUXGFNUZZPYJNJ-HLYIYZOSSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kreipl, A.T., Konig, W.A. Phytochemistry (2004) 65, 2045-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (CH2) | 30.6 |
| 2 (CH2) | 120.8 |
| 3 (C) | 133.7 |
| 4 (CH) | 30.7 |
| 5 (CH2) | 27.9 |
| 6 (CH) | 42.8 |
| 7 (C) | 140 |
| 8 (CH) | 121.2 |
| 9 (CH2) | 26.5 |
| 10 (CH) | 127.4 |
| 11 (C) | 134.2 |
| 12 (CH2) | 61.7 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 14.2 |
| 15 (CH3) | 23.5 |
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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.