Spektraris NMR
(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene
Common Name: (2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O14/c1-16(2)31(42)46-27-26(44-20(6)36)18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(27)41/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13+/t17-,24+,25+,26+,27+,30-,33-,34-/m1/s1
InChIKey: InChIKey=OSDVNRJELRKKGM-DMFVGZLZSA-N
Formula: C34H46O14
Molecular Weight: 678.721964
Exact Mass: 678.288756
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) | 46.2 |
| 2 (C) | 86.2 |
| 3 (CH) | 78.1 |
| 4 (CH) | 49.5 |
| 5 (CH) | 68.1 |
| 6 (C) | 143.3 |
| 7 (CH) | 68 |
| 8 (CH) | 73.8 |
| 9 (C) | 205.5 |
| 10 (C) | 48.5 |
| 11 (CH) | 136.3 |
| 12 (CH) | 133.3 |
| 13 (CH) | 44.8 |
| 14 (C) | 210.7 |
| 15 (C) | 91.5 |
| 16 (CH3) | 17.6 |
| 17 (CH2) | 113 |
| 18 (CH3) | 22.5 |
| 19 (CH3) | 27.7 |
| 20 (CH3) | 20.3 |
| 2a (C) | 170.4 |
| 2b (CH3) | 22.1 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.4 |
| 5a (C) | 169.5 |
| 5b (CH3) | 20.9 |
| 7a (C) | 169.2 |
| 7b (CH3) | 20.8 |
| 8a (C) | 175.7 |
| 8b (CH) | 33.5 |
| 8c (CH3) | 19.1 |
| 8ba (CH3) | 18.5 |
| 15a (C) | 169.2 |
| 15b (CH3) | 20.6 |
