Spektraris NMR
Sch 601253
Common Name: Sch 601253
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9-4-5-12-10(7-15(12,2)3)11(8-16)14(18)13(17)6-9/h6,10-13,16-17H,4-5,7-8H2,1-3H3/b9-6-/t10-,11+,12-,13-/m0/s1
InChIKey: InChIKey=QTBPNYPDBIVMPW-CHZGZLSFSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
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) | 48.8 |
| 2 (CH2) | 23.4 |
| 3 (CH2) | 27.7 |
| 4 (C) | 142.7 |
| 5 (CH) | 120.8 |
| 6 (CH) | 76.4 |
| 7 (C) | 215.2 |
| 8 (CH) | 57.7 |
| 9 (CH) | 35.8 |
| 10 (CH2) | 37.9 |
| 11 (C) | 34.1 |
| 12 (CH3) | 29.8 |
| 13 (CH3) | 22.1 |
| 14 (CH3) | 21.8 |
| 15 (CH2) | 62 |
