Spektraris NMR
xylocarpin L
Common Name: xylocarpin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O16/c1-15(36)47-21-12-34(43)32(7)25(24(29(41)45-8)48-16(2)37)30(5)14-33(32,42)23(27(30)49-17(3)38)28(50-18(4)39)35(34,44)20-11-22(40)51-26(31(20,21)6)19-9-10-46-13-19/h9-10,13,20-21,23-28,42-44H,11-12,14H2,1-8H3/t20-,21+,23-,24-,25+,26+,27-,28-,30+,31+,32-,33+,34+,35-/m1/s1
InChIKey: InChIKey=WJAUNQLZJPTPBB-HVKFDTDOSA-N
Formula: C35H44O16
Molecular Weight: 720.715628
Exact Mass: 720.262935
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Ouyang, J., Deng, A., Lin, W. Magn Reson Chem (2008) 46, 894-7
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) | 81.6 |
| 2 (CH) | 51.5 |
| 3 (CH) | 77.2 |
| 4 (C) | 45.1 |
| 5 (CH) | 45.2 |
| 6 (CH) | 72.1 |
| 7 (C) | 170.5 |
| 8 (C) | 72.8 |
| 9 (C) | 78 |
| 10 (C) | 53.4 |
| 11 (CH2) | 33.4 |
| 12 (CH) | 71.1 |
| 13 (C) | 39.8 |
| 14 (CH) | 40.2 |
| 15 (CH2) | 27.5 |
| 16 (C) | 169.2 |
| 17 (CH) | 76.4 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 14.7 |
| 20 (C) | 120.7 |
| 21 (CH) | 140.7 |
| 22 (CH) | 109.1 |
| 23 (CH) | 143.7 |
| 28 (CH3) | 15.7 |
| 29 (CH2) | 45 |
| 30 (CH) | 70.5 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.5 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.4 |
| 7a (CH3) | 52.9 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.2 |
| 30a (C) | 170.4 |
| 30b (CH3) | 21 |
