Spektraris NMR
Sch 601254
Common Name: Sch 601254
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-4-5-10-11(7-14(10,2)3)15(8-18-15)13(17)12(16)6-9/h6,10-11,13,17H,4-5,7-8H2,1-3H3/b9-6-/t10-,11+,13+,15-/m0/s1
InChIKey: InChIKey=FENYMDPUPDDJBK-QTDQYFSISA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.W., Chan, T.M., Terracciano, J., Boehm, E., Patel, R., Chen, G., Loebenberg, D., Patel, M., Gullo, V., Pramanik, B., Chu, M. J Nat Prod (2009) 72, 484-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) | 48.6 |
| 2 (CH2) | 26.3 |
| 3 (CH2) | 33.8 |
| 4 (C) | 158 |
| 5 (CH) | 127.3 |
| 6 (C) | 203 |
| 7 (CH) | 77.6 |
| 8 (C) | 62.4 |
| 9 (CH) | 35 |
| 10 (CH2) | 33.5 |
| 11 (C) | 34.5 |
| 12 (CH3) | 30.2 |
| 13 (CH3) | 23.9 |
| 14 (CH3) | 28.1 |
| 15 (CH2) | 48 |
