Spektraris NMR
Sch 725434
Common Name: Sch 725434
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-4-5-12-10(7-14(12,2)3)11-8-18-15(17,6-9)13(11)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11+,12-,15-/m0/s1
InChIKey: InChIKey=RUGRQWJJZMMLJI-OXIQGZBJSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: DMSO-d6
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) | 42 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 27.8 |
| 4 (C) | 142.8 |
| 5 (CH2) | 46 |
| 6 (C) | 97.7 |
| 7 (C) | 216.6 |
| 8 (CH) | 48.3 |
| 9 (CH) | 36.7 |
| 10 (CH2) | 37.2 |
| 11 (C) | 33.4 |
| 12 (CH3) | 29.4 |
| 13 (CH3) | 23.1 |
| 14 (CH2) | 115.1 |
| 15 (CH2) | 63.5 |
