Spektraris NMR
(-)-Albanone
Common Name: (-)-Albanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H18O/c1-11-6-5-10(13)12(11,2)9-4-3-8(11)7-9/h8-9H,3-7H2,1-2H3/t8-,9+,11+,12+/m0/s1
InChIKey: InChIKey=XONOBMQASQEADR-LUTQBAROSA-N
Formula: C12H18O1
Molecular Weight: 178.271169
Exact Mass: 178.135765
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) | 46.03 |
| 2 (C) | 56.41 |
| 3 (C) | 223.01 |
| 4 (CH2) | 36.33 |
| 5 (CH2) | 35.29 |
| 6 (C) | 46.1 |
| 7 (CH) | 51.1 |
| 8 (CH2) | 22.79 |
| 9 (CH2) | 23.65 |
| 10 (CH2) | 36.18 |
| 14 (CH3) | 16.13 |
| 15 (CH3) | 20.93 |
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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.