Spektraris NMR
Norbotryal acetate
Common Name: Norbotryal acetate
Synonyms: Norbotryal acetate
CAS Registry Number:
InChI: InChI=1S/C16H24O3/c1-9-6-13(19-11(3)18)15-14(12(9)8-17)10(2)7-16(15,4)5/h8-10,13,15H,6-7H2,1-5H3/t9-,10-,13+,15-/m1/s1
InChIKey: InChIKey=HAEYAYBKSHUKRO-FRWLMAKKSA-N
Formula: C16H24O3
Molecular Weight: 264.360567
Exact Mass: 264.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 135.8 |
| 2 (CH) | 28.3 |
| 3 (CH2) | 37.5 |
| 4 (CH) | 70.2 |
| 5 (CH) | 56 |
| 6 (C) | 40.9 |
| 7 (CH2) | 49.3 |
| 8 (CH) | 29.1 |
| 9 (C) | 169 |
| 10 (CH) | 190.4 |
| 11 (CH3) | 20.6 |
| 12 (CH3) | 32.5 |
| 13 (CH3) | 24.2 |
| 14 (CH3) | 21.9 |
| 4a (C) | 170.1 |
| 4b (CH3) | 21.3 |
