Spektraris NMR
Turrapubesic acid C
Common Name: Turrapubesic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O10/c1-10-15(2)27(37)40-25-24(39-17(4)32)23(16(3)31-21(41-31)13-18(26(35)36)30(25,31)8)29(7)12-11-20(33)28(5,6)19(29)14-22(34)38-9/h11-12,15,18-19,21,23-25H,3,10,13-14H2,1-2,4-9H3,(H,35,36)/t15?,18-,19-,21+,23+,24+,25-,29-,30+,31+/m0/s1
InChIKey: InChIKey=KVIVZEJTNVYLGT-QZGPIABVSA-N
Formula: C31H42O10
Molecular Weight: 574.660374
Exact Mass: 574.277798
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 |
| 2 (CH) | 125.7 |
| 3 (C) | 203.9 |
| 4 (C) | 46.2 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 31.3 |
| 7 (C) | 174.1 |
| 8 (C) | 135.9 |
| 9 (CH) | 52.6 |
| 10 (C) | 42 |
| 11 (CH) | 70.8 |
| 12 (CH) | 73.7 |
| 13 (C) | 46 |
| 14 (C) | 70.9 |
| 15 (CH) | 59.5 |
| 16 (CH2) | 29.9 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 13 |
| 19 (CH3) | 21.1 |
| 20 (C) | 177.9 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 22.7 |
| 30 (CH2) | 121.4 |
| 7a (CH3) | 52.1 |
| 11a (C) | 169.7 |
| 11b (CH3) | 20.8 |
| 12a (C) | 175.2 |
| 12b (CH) | 40.6 |
| 12c (CH2) | 25.6 |
| 12d (CH3) | 11.4 |
| 12ba (CH3) | 16.1 |
