Spektraris NMR
xyloccensin Q
Common Name: xyloccensin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O15/c1-14(34)43-18-11-31-28(5)21(20(37)23(38)41-7)26(3)13-30(28,39)32(40,24(26)44-15(2)35)25-33(31,48-29(6,46-25)47-31)17-10-19(36)45-22(27(17,18)4)16-8-9-42-12-16/h8-10,12,18,20-22,24-25,37,39-40H,11,13H2,1-7H3/t18-,20+,21-,22-,24-,25+,26-,27-,28+,29?,30+,31-,32-,33+/m0/s1
InChIKey: InChIKey=FHIHDIOAAUFTAC-DKUVPDNBSA-N
Formula: C33H38O15
Molecular Weight: 674.647107
Exact Mass: 674.221071
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Deng, Z., Li, J., Fu, H., Proksch, P., Lin, W. Phytochemistry (2005) 66, 2334-9
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 (C) | 83.6 |
| 2 (C) | 75.3 |
| 3 (CH) | 86.1 |
| 4 (C) | 44.1 |
| 5 (CH) | 45.8 |
| 6 (CH) | 71 |
| 7 (C) | 174.5 |
| 8 (C) | 84.2 |
| 9 (C) | 87.4 |
| 10 (C) | 48 |
| 11 (CH2) | 32.4 |
| 12 (CH) | 68.8 |
| 13 (C) | 42.9 |
| 14 (C) | 153.2 |
| 15 (CH) | 123.6 |
| 16 (C) | 163.3 |
| 17 (CH) | 78.8 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 17.1 |
| 20 (C) | 121.1 |
| 21 (CH) | 141.8 |
| 22 (CH) | 110.2 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 15.4 |
| 29 (CH2) | 40.3 |
| 30 (CH) | 78.1 |
| 3a (C) | 168.6 |
| 3b (CH3) | 21.7 |
| 7a (CH3) | 53.1 |
| 8a (C) | 119.4 |
| 8b (CH3) | 16.5 |
| 12a (C) | 170.5 |
| 12b (CH3) | 19.8 |
