Spektraris NMR
Modhephene
Common Name: Modhephene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14+,15-/m1/s1
InChIKey: InChIKey=APGXRXFCBZKIAN-BYCMXARLSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reyes-Trejo, B., Joseph-Nathan, P. Phytochemistry (1999) 51, 75-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Modhephanes; 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) | 73.2 |
| 2 (C) | 141.1 |
| 3 (CH) | 135.4 |
| 4 (C) | 46 |
| 5 (C) | 66.4 |
| 6 (CH2) | 34.4 |
| 7 (CH2) | 36 |
| 8 (CH) | 44 |
| 9 (CH2) | 30 |
| 10 (CH2) | 27.3 |
| 11 (CH2) | 38.7 |
| 12 (CH3) | 27.3 |
| 13 (CH3) | 29.3 |
| 14 (CH3) | 13.7 |
| 15 (CH3) | 15.7 |
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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.