Spektraris NMR
(2R*,3R*,4S*,5R*,7R*,13R*,15R*)-2,3,5,15-Tetraacetoxy-7-isobutyroyloxy-9,14-dioxojatropha-6(17),-11E-diene
Common Name: (2R*,3R*,4S*,5R*,7R*,13R*,15R*)-2,3,5,15-Tetraacetoxy-7-isobutyroyloxy-9,14-dioxojatropha-6(17),-11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O12/c1-16(2)29(39)42-23-14-24(37)30(9,10)13-12-17(3)27(38)32(44-22(8)36)15-31(11,43-21(7)35)28(41-20(6)34)25(32)26(18(23)4)40-19(5)33/h12-13,16-17,23,25-26,28H,4,14-15H2,1-3,5-11H3/b13-12+/t17-,23-,25+,26+,28-,31-,32-/m1/s1
InChIKey: InChIKey=YYEKMGSWPBYHOE-IDOFVWIOSA-N
Formula: C32H44O12
Molecular Weight: 620.685801
Exact Mass: 620.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Jakupovic, S., Tron, G.C., Jakupovic, J., Milon, V., Ballero, M. J Nat Prod (1998) 61, 749-56
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) | 46.5 |
| 2 (C) | 86 |
| 3 (CH) | 78.3 |
| 4 (CH) | 49.5 |
| 5 (CH) | 68 |
| 6 (C) | 146.7 |
| 7 (CH) | 69.3 |
| 8 (CH2) | 45.5 |
| 9 (C) | 209.6 |
| 10 (C) | 48.3 |
| 11 (CH) | 137.2 |
| 12 (CH) | 132.9 |
| 13 (CH) | 44.5 |
| 14 (C) | 210.1 |
| 15 (C) | 92.1 |
| 16 (CH3) | 17.7 |
| 17 (CH2) | 110.3 |
| 18 (CH3) | 22.8 |
| 19 (CH3) | 26.7 |
| 20 (CH3) | 20.2 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.3 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21.2 |
| 5a (C) | 169.3 |
| 5b (CH3) | 20.9 |
| 7a (C) | 175.3 |
| 7b (CH) | 34.6 |
| 7c (CH3) | 18.7 |
| 7ba (CH3) | 18.6 |
| 15a (C) | 169 |
| 15b (CH3) | 20.7 |
