Spektraris NMR
Suberosanone
Common Name: Suberosanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-,15+/m0/s1
InChIKey: InChIKey=KHINYKJYBNWSSP-IAGXKZSMSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Hung, K.C., Wang, G.H., Duh, C.Y. J Nat Prod (2000) 63, 1603-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Suberosanes; 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) | 56.9 |
| 2 (CH) | 43.8 |
| 3 (CH2) | 40.7 |
| 4 (C) | 220.5 |
| 5 (CH) | 50 |
| 6 (CH3) | 8.1 |
| 7 (CH3) | 17 |
| 8 (CH) | 35.6 |
| 9 (CH2) | 26.9 |
| 10 (CH2) | 28.3 |
| 11 (CH) | 49.6 |
| 12 (CH2) | 47.7 |
| 13 (C) | 39.2 |
| 14 (CH3) | 27 |
| 15 (CH3) | 34.3 |
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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.