Spektraris NMR
Sch 725432
Common Name: Sch 725432
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/h6,10-12,14,16,18H,4-5,7-8H2,1-3H3/b9-6-/t10-,11+,12-,14-/m0/s1
InChIKey: InChIKey=RCNNSAWFPVOGAA-UJWUQMAYSA-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) | 44.9 |
| 2 (CH2) | 25.9 |
| 3 (CH2) | 30.4 |
| 4 (C) | 148.9 |
| 5 (CH) | 126.5 |
| 6 (C) | 207.5 |
| 7 (CH) | 74.2 |
| 8 (CH) | 50.2 |
| 9 (CH) | 31.2 |
| 10 (CH2) | 37.4 |
| 11 (C) | 32.9 |
| 12 (CH3) | 29.8 |
| 13 (CH3) | 23.3 |
| 14 (CH3) | 25.2 |
| 15 (CH2) | 58.2 |
