Spektraris NMR
(2S*,3S*,4R*,5R*,7R*,13R*,14R*,15R*)-5,7,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene
Common Name: (2S*,3S*,4R*,5R*,7R*,13R*,14R*,15R*)-5,7,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14+/t18-,19+,25-,27-,28+,29+,30-,33-/m1/s1
InChIKey: InChIKey=QPKPYRGCZAZZJU-STMFRTFUSA-N
Formula: C33H42O10
Molecular Weight: 598.681846
Exact Mass: 598.277798
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) | 50.4 |
| 2 (CH) | 36.9 |
| 3 (CH) | 79.2 |
| 4 (CH) | 46.4 |
| 5 (CH) | 71 |
| 6 (C) | 147.8 |
| 7 (CH) | 69.7 |
| 8 (CH2) | 45.7 |
| 9 (C) | 210.8 |
| 10 (C) | 49.4 |
| 11 (CH) | 136.7 |
| 12 (CH) | 132.3 |
| 13 (CH) | 36.2 |
| 14 (CH) | 80.6 |
| 15 (C) | 81.9 |
| 16 (CH3) | 13.7 |
| 17 (CH2) | 110 |
| 18 (CH3) | 22.8 |
| 19 (CH3) | 27.6 |
| 20 (CH3) | 25 |
| 3a (C) | 165.2 |
| 3b (C) | 130.4 |
| 3c (CH) | 129.4 |
| 3d (CH) | 128.6 |
| 3e (CH) | 133.2 |
| 3f (CH) | 128.6 |
| 3g (CH) | 129.4 |
| 5a (C) | 170.3 |
| 5b (CH3) | 20.7 |
| 7a (C) | 170 |
| 7b (CH3) | 20.8 |
| 14a (C) | 170.6 |
| 14b (CH3) | 20.9 |
