Spektraris NMR
Tetraacetoxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene
Common Name: Tetraacetoxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O12/c1-15(2)30(39)43-27-26(42-21(8)35)18(5)25(41-20(7)34)23-24(40-19(6)33)17(4)14-32(23,44-22(9)36)28(37)16(3)12-13-31(10,11)29(27)38/h12-13,15-17,23-27H,5,14H2,1-4,6-11H3/b13-12+/t16-,17+,23-,24+,25+,26+,27+,32-/m1/s1
InChIKey: InChIKey=NOFXXAHHOJWYAL-LYEVMNMESA-N
Formula: C32H44O12
Molecular Weight: 620.685801
Exact Mass: 620.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Morgenstern, T., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1611-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 45.2 |
| 2 (CH) | 38.4 |
| 3 (CH) | 76.3 |
| 4 (CH) | 52.7 |
| 5 (CH) | 73.9 |
| 6 (C) | 142.9 |
| 7 (CH) | 68.2 |
| 8 (CH) | 68.1 |
| 9 (C) | 205.4 |
| 10 (C) | 48.5 |
| 11 (CH) | 136.4 |
| 12 (CH) | 133 |
| 13 (CH) | 44.8 |
| 14 (C) | 211.7 |
| 15 (C) | 91.4 |
| 16 (CH3) | 13.1 |
| 17 (CH2) | 112.7 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 27.8 |
| 20 (CH3) | 20 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.2 |
| 5a (C) | 169.9 |
| 5b (CH3) | 20.9 |
| 7a (C) | 169.8 |
| 7b (CH3) | 20.8 |
| 8a (C) | 175.6 |
| 8b (CH) | 33.5 |
| 8c (CH3) | 19 |
| 8ba (CH3) | 18.5 |
| 15a (C) | 169.2 |
| 15b (CH3) | 20.5 |
