Spektraris NMR
Turrapubesic acid A
Common Name: Turrapubesic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O10/c1-13-21(26(6)10-9-18(31)25(4,5)17(26)12-20(32)35-8)22(36-14(2)29)23(37-15(3)30)27(7)16(24(33)34)11-19-28(13,27)38-19/h9-10,16-17,19,21-23H,1,11-12H2,2-8H3,(H,33,34)/t16-,17-,19+,21+,22+,23-,26-,27+,28+/m0/s1
InChIKey: InChIKey=OZDJONMGTDYJGH-GFTJKIDQSA-N
Formula: C28H36O10
Molecular Weight: 532.580522
Exact Mass: 532.230847
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) | 204 |
| 4 (C) | 46.2 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 31.3 |
| 7 (C) | 174.1 |
| 8 (C) | 135.8 |
| 9 (CH) | 52.6 |
| 10 (C) | 42 |
| 11 (CH) | 70.8 |
| 12 (CH) | 74.2 |
| 13 (C) | 45.8 |
| 14 (C) | 70.8 |
| 15 (CH) | 59.6 |
| 16 (CH2) | 29.6 |
| 17 (CH) | 46.7 |
| 18 (CH3) | 12.9 |
| 19 (CH3) | 21.2 |
| 20 (C) | 177.3 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 22.6 |
| 30 (CH2) | 121.5 |
| 7a (CH3) | 52.1 |
| 11a (C) | 169.7 |
| 11b (CH3) | 20.5 |
| 12a (C) | 170 |
| 12b (CH3) | 20.6 |
