Spektraris NMR
14-Acetoxymodhephene
Common Name: 14-Acetoxymodhephene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-12-6-9-16-7-5-8-17(12,16)13(2)10-15(16,4)11-19-14(3)18/h10,12H,5-9,11H2,1-4H3/t12-,15-,16+,17-/m1/s1
InChIKey: InChIKey=RXXAPCMCUQFCMQ-VDNDLQMASA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
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) | 73.4 |
| 2 (C) | 144.7 |
| 3 (CH) | 129.6 |
| 4 (C) | 49.4 |
| 5 (C) | 65.3 |
| 6 (CH2) | 34.1 |
| 7 (CH2) | 35 |
| 8 (CH) | 43.4 |
| 9 (CH2) | 29.9 |
| 10 (CH2) | 26.9 |
| 11 (CH2) | 39 |
| 12 (CH3) | 21 |
| 13 (CH2) | 71.8 |
| 14 (CH3) | 14 |
| 15 (CH3) | 15.3 |
| 13a (C) | 171.2 |
| 13b (CH3) | 21 |
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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.