Spektraris NMR
(-)-Albenone
Common Name: (-)-Albenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H16O/c1-11-6-5-10(13)12(11,2)9-4-3-8(11)7-9/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+,11+,12+/m0/s1
InChIKey: InChIKey=MBRPPNCMKAGHNL-LUTQBAROSA-N
Formula: C12H16O1
Molecular Weight: 176.255288
Exact Mass: 176.120115
NMR Solvent: C6D6
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) | 45.08 |
| 2 (C) | 52.94 |
| 3 (C) | 213.53 |
| 4 (CH) | 134.08 |
| 5 (CH) | 168.98 |
| 6 (C) | 54.49 |
| 7 (CH) | 44.07 |
| 8 (CH2) | 22.48 |
| 9 (CH2) | 23.3 |
| 10 (CH2) | 33.91 |
| 14 (CH3) | 14.25 |
| 15 (CH3) | 16.33 |
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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.