Spektraris NMR
(2R*,3R*,4S*,5 R*,7S*,8 R*, 13R*, 15R*)-2,3,5,7,15-Pentaacetoxy-8-(2c- methylbutyroyloxy)-9,14-dioxojatropha-6(17), 11E-diene
Common Name: (2R*,3R*,4S*,5 R*,7S*,8 R*, 13R*, 15R*)-2,3,5,7,15-Pentaacetoxy-8-(2c- methylbutyroyloxy)-9,14-dioxojatropha-6(17), 11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O14/c1-17(2)15-25(41)47-29-28(45-21(6)37)19(4)27(44-20(5)36)26-32(46-22(7)38)34(12,48-23(8)39)16-35(26,49-24(9)40)30(42)18(3)13-14-33(10,11)31(29)43/h13-14,17-18,26-29,32H,4,15-16H2,1-3,5-12H3/b14-13+/t18-,26+,27+,28+,29+,32-,34-,35-/m1/s1
InChIKey: InChIKey=PAQMFNLKLJFMHR-SRCCXCOCSA-N
Formula: C35H48O14
Molecular Weight: 692.748582
Exact Mass: 692.304406
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) | 46.3 |
| 2 (C) | 86.2 |
| 3 (CH) | 78.1 |
| 4 (CH) | 49.5 |
| 5 (CH) | 68 |
| 6 (C) | 143.3 |
| 7 (CH) | 68 |
| 8 (CH) | 73.9 |
| 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) | 17.7 |
| 17 (CH2) | 113.1 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 27.8 |
| 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) | 174.2 |
| 8b (CH2) | 40.4 |
| 8c (CH) | 26.7 |
| 8d (CH3) | 16.3 |
| 8ca (CH3) | 11.1 |
| 15a (C) | 169.2 |
| 15b (CH3) | 20.6 |
