Spektraris NMR
ZINC70454901
Common Name: ZINC70454901
Synonyms: ZINC70454901
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-9-5-4-6-10(2)13(16)7-12-11(3)14(17)19-15(12,18)8-9/h5,10,18H,4,6-8H2,1-3H3/b9-5-/t10-,15-/m1/s1
InChIKey: InChIKey=SCOXWKWLFRIELY-UDFLQURGSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, Z.J., Meng, Z.K., Zhang, P. Fitoterapia (2009) 80, 374-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH2) | 36 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 133.8 |
| 4 (C) | 130.5 |
| 5 (CH2) | 49.7 |
| 6 (C) | 106.9 |
| 7 (C) | 154.6 |
| 8 (CH2) | 40.2 |
| 9 (C) | 209.6 |
| 10 (CH) | 47.8 |
| 11 (C) | 129.9 |
| 12 (C) | 172.3 |
| 13 (CH3) | 9.2 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 16.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.