Spektraris NMR
8-Acetoxymodhephene
Common Name: 8-Acetoxymodhephene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-12-10-15(3,4)16-7-5-8-17(12,16)14(6-9-16)11-19-13(2)18/h10,14H,5-9,11H2,1-4H3/t14-,16-,17-/m0/s1
InChIKey: InChIKey=MBPGMPUGXJNLPD-XIRDDKMYSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Comey, N., Grey, A.I., Hook, I.L., James, P., Sheridan, H. Phytochemistry (1999) 50, 1057-60
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) | 72.5 |
| 2 (C) | 140 |
| 3 (CH) | 136.5 |
| 4 (C) | 46.2 |
| 5 (C) | 67.1 |
| 6 (CH2) | 34.4 |
| 7 (CH2) | 31.7 |
| 8 (CH) | 48.2 |
| 9 (CH2) | 30.7 |
| 10 (CH2) | 27.7 |
| 11 (CH2) | 38.2 |
| 12 (CH3) | 26.6 |
| 13 (CH3) | 29 |
| 14 (CH3) | 14.2 |
| 15 (CH2) | 66.4 |
| 15a (C) | 170.5 |
| 15b (CH3) | 21.3 |
