Spektraris NMR
Turrapubesin G
Common Name: Turrapubesin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O11/c1-10-16(2)29(39)44-28-27(42-18(4)35)26(32(7)12-11-22(36)31(5,6)21(32)15-24(37)41-9)17(3)34-23(45-34)14-20(33(28,34)8)19-13-25(38)43-30(19)40/h11-13,16,20-21,23,26-28,30,40H,3,10,14-15H2,1-2,4-9H3/t16?,20-,21-,23+,26+,27+,28-,30?,32-,33+,34+/m0/s1
InChIKey: InChIKey=PYCKPNAFYRNXSN-JFESAWECSA-N
Formula: C34H44O11
Molecular Weight: 628.707868
Exact Mass: 628.288362
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) | 152.1 |
| 2 (CH) | 125.9 |
| 3 (C) | 204 |
| 4 (C) | 46.4 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 31.3 |
| 7 (C) | 174.1 |
| 8 (C) | 135.8 |
| 9 (CH) | 52.8 |
| 10 (C) | 42.1 |
| 11 (CH) | 70.7 |
| 12 (CH) | 75.5 |
| 13 (C) | 46.3 |
| 14 (C) | 70.7 |
| 15 (CH) | 59.1 |
| 16 (CH2) | 33.2 |
| 17 (CH) | 40.1 |
| 18 (CH3) | 13.3 |
| 19 (CH3) | 21.3 |
| 20 (C) | 164.8 |
| 21 (CH) | 99.4 |
| 22 (CH) | 121.2 |
| 23 (C) | 170.4 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 22.7 |
| 30 (CH2) | 121.9 |
| 7a (CH3) | 52.2 |
| 11a (C) | 169.6 |
| 11b (CH3) | 20.9 |
| 12a (C) | 176.6 |
| 12b (CH) | 41.1 |
| 12c (CH2) | 25.7 |
| 12d (CH3) | 11.5 |
| 12ba (CH3) | 15.8 |
