Spektraris NMR
3-Methyl-1-{2-[(1R*,2R*,5R*,6S*)-2,5,6-tris(acetyloxy)-4-methylcyclohex-3-en-1-yl]propyl}but-2-enyl (2Z)-2-methylbut-2-enoate
![3-Methyl-1-{2-[(1R*,2R*,5R*,6S*)-2,5,6-tris(acetyloxy)-4-methylcyclohex-3-en-1-yl]propyl}but-2-enyl (2Z)-2-methylbut-2-enoate](/nmr/static/nmr/svg/9633.svg)
Common Name: 3-Methyl-1-{2-[(1R*,2R*,5R*,6S*)-2,5,6-tris(acetyloxy)-4-methylcyclohex-3-en-1-yl]propyl}but-2-enyl (2Z)-2-methylbut-2-enoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-10-15(4)26(30)34-21(11-14(2)3)12-16(5)23-22(31-18(7)27)13-17(6)24(32-19(8)28)25(23)33-20(9)29/h10-11,13,16,21-25H,12H2,1-9H3/b15-10-/t16-,21?,22+,23-,24-,25+/m0/s1
InChIKey: InChIKey=HIOQBMNUCHNSHW-IFTTWKJTSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, M.J., Jayaprakasam, B., Ishikawa, T., Seki, H., Tsai, I.L., Wang, J.J., Chen, I.S. Helv Chim Acta (2002) 85, 1909-14
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (CH) | 70 |
| 2 (CH) | 127.9 |
| 3 (C) | 133.2 |
| 4 (CH) | 69.1 |
| 5 (CH) | 69.3 |
| 6 (CH) | 41.3 |
| 7 (CH) | 27.5 |
| 8 (CH2) | 40.5 |
| 9 (CH) | 70.3 |
| 10 (CH) | 123.9 |
| 11 (C) | 137.8 |
| 12 (CH3) | 18.6 |
| 13 (CH3) | 25.9 |
| 14 (CH3) | 15.8 |
| 15 (CH3) | 20.3 |
| 1a (C) | 169.9 |
| 1b (CH3) | 21.1 |
| 4a (C) | 169.5 |
| 4b (CH3) | 21.1 |
| 5a (C) | 170.4 |
| 5b (CH3) | 21.1 |
| 9a (C) | 167.6 |
| 9b (C) | 127.7 |
| 9c (CH) | 138.9 |
| 9d (CH3) | 15.9 |
| 9e (CH3) | 20.6 |
