Spektraris NMR
Turrapubesin C
Common Name: Turrapubesin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O10/c1-15(32)40-27-26-18(14-39-23-12-22(35)29(3,4)21(31(23,26)6)11-24(36)37-7)25-20(34)10-19(17-8-9-38-13-17)30(25,5)28(27)41-16(2)33/h8-9,13,19-21,23,26-28,34H,10-12,14H2,1-7H3/t19-,20+,21-,23-,26+,27+,28-,30-,31+/m0/s1
InChIKey: InChIKey=GOHBWTWCFSTOJD-AQMYFVRYSA-N
Formula: C31H40O10
Molecular Weight: 572.644492
Exact Mass: 572.262148
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) | 84.4 |
| 2 (CH2) | 39.8 |
| 3 (C) | 211.5 |
| 4 (C) | 47.8 |
| 5 (CH) | 40.6 |
| 6 (CH2) | 31.9 |
| 7 (C) | 175.9 |
| 8 (C) | 128.3 |
| 9 (CH) | 51.6 |
| 10 (C) | 46.7 |
| 11 (CH) | 70.6 |
| 12 (CH) | 73.8 |
| 13 (C) | 48.3 |
| 14 (C) | 147.5 |
| 15 (CH) | 69 |
| 16 (CH2) | 40.4 |
| 17 (CH) | 41.4 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 19.9 |
| 20 (C) | 123 |
| 21 (CH) | 139.8 |
| 22 (CH) | 110.7 |
| 23 (CH) | 142.2 |
| 28 (CH3) | 23.5 |
| 29 (CH3) | 24.8 |
| 30 (CH2) | 68.5 |
| 7a (CH3) | 52.3 |
| 11a (C) | 170.3 |
| 11b (CH3) | 21.2 |
| 12a (C) | 170.8 |
| 12b (CH3) | 20.3 |
