Spektraris NMR
Cacalol
Common Name: Cacalol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O2/c1-8-5-4-6-11-12(8)10(3)13-9(2)7-17-15(13)14(11)16/h7-8,16H,4-6H2,1-3H3/t8-/m0/s1
InChIKey: InChIKey=OUFUBABGIIEJNV-QMMMGPOBSA-N
Formula: C15H18O2
Molecular Weight: 230.302782
Exact Mass: 230.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Inman, W.D., Luo, J., Jolad, S.D., King, S.R., Cooper, R. J Nat Prod (1999) 62, 1088-92
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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) | 22.9 |
| 2 (CH2) | 16.6 |
| 3 (CH2) | 30 |
| 4 (CH) | 28.9 |
| 5 (C) | 135.5 |
| 6 (C) | 120.1 |
| 7 (C) | 126 |
| 8 (C) | 142.1 |
| 9 (C) | 136.2 |
| 10 (C) | 118.7 |
| 11 (C) | 117 |
| 12 (CH) | 140.7 |
| 13 (CH3) | 11.2 |
| 14 (CH3) | 13.7 |
| 15 (CH3) | 21.3 |
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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.