Spektraris NMR
(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-benzoyloxy-9,14-dioxojatropha-6(17),11E-diene
Common Name: (2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-benzoyloxy-9,14-dioxojatropha-6(17),11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O14/c1-19-16-17-35(8,9)32(44)30(49-34(45)26-14-12-11-13-15-26)29(47-22(4)39)20(2)28(46-21(3)38)27-33(48-23(5)40)36(10,50-24(6)41)18-37(27,31(19)43)51-25(7)42/h11-17,19,27-30,33H,2,18H2,1,3-10H3/b17-16+/t19-,27+,28+,29+,30+,33-,36-,37-/m1/s1
InChIKey: InChIKey=DIRGAGXDBYDWQB-FGTBSETLSA-N
Formula: C37H44O14
Molecular Weight: 712.73829
Exact Mass: 712.273106
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 |
| 6 (C) | 143.3 |
| 7 (CH) | 68 |
| 8 (CH) | 74.7 |
| 9 (C) | 205.1 |
| 10 (C) | 48.6 |
| 11 (CH) | 136.2 |
| 12 (CH) | 133.3 |
| 13 (CH) | 44.8 |
| 14 (C) | 210.7 |
| 15 (C) | 96.1 |
| 16 (CH3) | 17.7 |
| 17 (CH2) | 113.3 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 27.9 |
| 20 (CH3) | 20.3 |
| 2a (C) | 171.4 |
| 2b (CH3) | 22.1 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.3 |
| 5a (C) | 169.5 |
| 5b (CH3) | 21 |
| 7a (C) | 169.3 |
| 7b (CH3) | 20.8 |
| 8a (C) | 165.2 |
| 8b (C) | 129.3 |
| 8c (CH) | 129.9 |
| 8d (CH) | 128.4 |
| 8e (CH) | 133.5 |
| 8f (CH) | 128.4 |
| 8g (CH) | 129.9 |
| 15a (C) | 169.1 |
| 15b (CH3) | 20.6 |
