Spektraris NMR
Turrapubesin E
Common Name: Turrapubesin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H42O11/c1-19-30(35(5)14-13-25(39)34(3,4)24(35)18-27(40)44-7)31(45-20(2)38)32(46-28(41)15-21-11-9-8-10-12-21)36(6)23(17-26-37(19,36)48-26)22-16-29(42)47-33(22)43/h8-14,16,23-24,26,30-33,43H,1,15,17-18H2,2-7H3/t23-,24-,26+,30+,31+,32-,33?,35-,36+,37+/m0/s1
InChIKey: InChIKey=OHQWQSGCWXQCSF-AAUQHIRQSA-N
Formula: C37H42O11
Molecular Weight: 662.724194
Exact Mass: 662.272712
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) | 152 |
| 2 (CH) | 125.8 |
| 3 (C) | 204 |
| 4 (C) | 46.2 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 31.2 |
| 7 (C) | 174.1 |
| 8 (C) | 135.7 |
| 9 (CH) | 52.5 |
| 10 (C) | 42 |
| 11 (CH) | 71 |
| 12 (CH) | 75.9 |
| 13 (C) | 46.2 |
| 14 (C) | 71 |
| 15 (CH) | 59.4 |
| 16 (CH2) | 33.6 |
| 17 (CH) | 40.5 |
| 18 (CH3) | 13.4 |
| 19 (CH3) | 21.2 |
| 20 (C) | 167 |
| 21 (CH) | 99.3 |
| 22 (CH) | 120.3 |
| 23 (C) | 170.4 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 22.6 |
| 30 (CH2) | 122.1 |
| 7a (CH3) | 52.1 |
| 11a (C) | 169.6 |
| 11b (CH3) | 20.3 |
| 12a (C) | 171.7 |
| 12b (CH2) | 41.3 |
| 12c (C) | 132.4 |
| 12d (CH) | 129.4 |
| 12e (CH) | 128.8 |
| 12f (CH) | 127.5 |
| 12g (CH) | 128.8 |
| 12h (CH) | 129.4 |
