Spektraris NMR
Onitisin
Common Name: Onitisin
Synonyms: Onitisin
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-8-10(4-5-16)9(2)13(18)11-6-15(3,7-17)14(19)12(8)11/h16-18H,4-7H2,1-3H3/t15-/m0/s1
InChIKey: InChIKey=DKTHZTCRZGYKCV-HNNXBMFYSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, M.M., Wang, K., Pan, Z.H., Chen, X.Q., Peng, L.Y., Li, Y., Cheng, X., Zhao, Q.S. Chem Pharm Bull (2009) 57, 1123-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudanes; 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) | 210.8 |
| 2 (C) | 138.3 |
| 3 (C) | 127.2 |
| 4 (CH2) | 60 |
| 5 (CH2) | 32.7 |
| 6 (C) | 136.6 |
| 7 (C) | 131.7 |
| 8 (C) | 150 |
| 9 (C) | 130.4 |
| 10 (CH2) | 33.5 |
| 11 (C) | 50.9 |
| 12 (CH2) | 66.6 |
| 13 (CH3) | 21.1 |
| 14 (CH3) | 12.8 |
| 15 (CH3) | 12.7 |
