Spektraris NMR
(2R*,3S*,4R*,5R*,8R*,13S*,15R*)-5,8,15-Triacetoxy-3-benzoyloxy-9,14-dioxojatropha-6(17),11E-diene
Common Name: (2R*,3S*,4R*,5R*,8R*,13S*,15R*)-5,8,15-Triacetoxy-3-benzoyloxy-9,14-dioxojatropha-6(17),11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)25(40-21(4)34)16-19(2)27(41-22(5)35)26-28(42-31(39)24-12-10-9-11-13-24)20(3)17-33(26,29(18)37)43-23(6)36/h9-15,18,20,25-28H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,26-,27-,28-,33+/m0/s1
InChIKey: InChIKey=UXXCYRXOIGPLCA-PNURPOIQSA-N
Formula: C33H40O10
Molecular Weight: 596.665964
Exact Mass: 596.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ferreira, A.M., Carvalho, L.H., Carvalho, M.J., Sequeira, M.M., Silva, A.M. Phytochemistry (2002) 61, 373-7
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) | 42.3 |
| 2 (CH) | 38.4 |
| 3 (CH) | 81.2 |
| 4 (CH) | 46.6 |
| 5 (CH) | 72.6 |
| 6 (C) | 137.1 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 72.2 |
| 9 (C) | 207.8 |
| 10 (C) | 49.5 |
| 11 (CH) | 135.2 |
| 12 (CH) | 132.9 |
| 13 (CH) | 44.7 |
| 14 (C) | 203.6 |
| 15 (C) | 92.7 |
| 16 (CH3) | 19.6 |
| 17 (CH2) | 117.4 |
| 18 (CH3) | 24 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 19.7 |
| 3a (C) | 165.6 |
| 3b (C) | 129.7 |
| 3c (CH) | 129.6 |
| 3d (CH) | 128.4 |
| 3e (CH) | 133.3 |
| 3f (CH) | 128.4 |
| 3g (CH) | 129.6 |
| 5a (C) | 168.6 |
| 5b (CH3) | 20.6 |
| 8a (C) | 169.1 |
| 8b (CH3) | 21.5 |
| 15a (C) | 170.1 |
| 15b (CH3) | 20.5 |
