Spektraris NMR
(-)-Albene
Common Name: (-)-Albene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1
InChIKey: InChIKey=HKLBEHRJWPWLOB-QCNOEVLYSA-N
Formula: C12H18
Molecular Weight: 162.271764
Exact Mass: 162.140851
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Saritas, Y., von Reuss, S.H., Konig, W.A. Phytochemistry (2002) 59, 795-803
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Petasitanes; 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) | 50.27 |
| 2 (C) | 56.33 |
| 3 (CH) | 139.59 |
| 4 (CH) | 128.3 |
| 5 (CH2) | 51.75 |
| 6 (C) | 46.55 |
| 7 (CH) | 47.02 |
| 8 (CH2) | 23.79 |
| 9 (CH2) | 23.77 |
| 10 (CH2) | 34.16 |
| 14 (CH3) | 18.09 |
| 15 (CH3) | 20.65 |
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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.