Spektraris NMR
Turrapubesin F
Common Name: Turrapubesin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O11/c1-15(2)28(38)43-27-26(41-17(4)34)25(31(7)11-10-21(35)30(5,6)20(31)14-23(36)40-9)16(3)33-22(44-33)13-19(32(27,33)8)18-12-24(37)42-29(18)39/h10-12,15,19-20,22,25-27,29,39H,3,13-14H2,1-2,4-9H3/t19-,20-,22+,25+,26+,27-,29?,31-,32+,33+/m0/s1
InChIKey: InChIKey=OGMROCOZSBPWSY-QJYYTXRXSA-N
Formula: C33H42O11
Molecular Weight: 614.68125
Exact Mass: 614.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Yin, S., Fan, C.Q., Lin, L.P., Ding, J., Yue, J.M. Tetrahedron (2007) 63, 8234-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 151.9 |
| 2 (CH) | 125.7 |
| 3 (C) | 203.9 |
| 4 (C) | 46.1 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 31.1 |
| 7 (C) | 174 |
| 8 (C) | 135.5 |
| 9 (CH) | 52.5 |
| 10 (C) | 41.9 |
| 11 (CH) | 70.5 |
| 12 (CH) | 76.6 |
| 13 (C) | 46.3 |
| 14 (C) | 70.5 |
| 15 (CH) | 58.9 |
| 16 (CH2) | 32.9 |
| 17 (CH) | 39.8 |
| 18 (CH3) | 13.1 |
| 19 (CH3) | 21.1 |
| 20 (C) | 166.8 |
| 21 (CH) | 99.5 |
| 22 (CH) | 118.5 |
| 23 (C) | 170.2 |
| 28 (CH3) | 22.8 |
| 29 (CH3) | 22.5 |
| 30 (CH2) | 122.2 |
| 7a (CH3) | 52.1 |
| 11a (C) | 169.5 |
| 11b (CH3) | 20.7 |
| 12a (C) | 176 |
| 12b (CH) | 34 |
| 12c (CH3) | 18.1 |
| 12ba (CH3) | 18.7 |
