Spektraris NMR
1-O-tigloyl-1-O-debenzoylohchinal
Common Name: 1-O-tigloyl-1-O-debenzoylohchinal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O9/c1-9-18(3)32(38)44-31-29-30-33(6,17-41-29)26(42-20(5)36)15-25(37)34(30,7)24-14-27(40-10-2)43-23-13-22(21-11-12-39-16-21)19(4)28(23)35(24,31)8/h9,11-12,16,22-27,29-31,37H,10,13-15,17H2,1-8H3/b18-9+/t22-,23?,24+,25-,26+,27+,29+,30-,31+,33+,34-,35+/m0/s1
InChIKey: InChIKey=ZIPUDDJBRLRTDJ-AYCJNVQPSA-N
Formula: C35H48O9
Molecular Weight: 612.751557
Exact Mass: 612.329833
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xie, F., Zhang, C.F., Zhang, M., Wang, Z.T., Yu, B.Y. Chin Chem Lett (2008) 19, 183-6
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) | 71 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 72.7 |
| 4 (C) | 42.4 |
| 5 (CH) | 38.9 |
| 6 (CH) | 72.6 |
| 7 (CH) | 74.8 |
| 8 (C) | 45.4 |
| 9 (CH) | 36.3 |
| 10 (C) | 41.2 |
| 11 (CH2) | 30.8 |
| 12 (CH) | 96.9 |
| 13 (C) | 142.5 |
| 14 (C) | 142.6 |
| 15 (CH) | 77.6 |
| 16 (CH2) | 37.8 |
| 17 (CH) | 46.8 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 16.5 |
| 20 (C) | 128.3 |
| 21 (CH) | 139 |
| 22 (CH) | 110.4 |
| 23 (CH) | 142.6 |
| 28 (CH2) | 77.9 |
| 29 (CH3) | 18.9 |
| 30 (CH3) | 20.4 |
| 3a (C) | 166.3 |
| 3b (CH3) | 128.9 |
| 7a (C) | 136.5 |
| 7b (C) | 14.3 |
| 7c (CH) | 11.9 |
| 7d (CH3) | 170.7 |
| 7ba (CH3) | 21 |
| 12a (CH2) | 62.2 |
| 12b (CH3) | 15 |
