Spektraris NMR
Xyloccensin W
Common Name: Xyloccensin W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O10/c1-14(30)37-24-20-21(33)27(5)16-7-9-26(4)22(15-8-10-36-13-15)38-19(32)12-28(26,34)29(16,24)39-23(20)25(2,3)17(27)11-18(31)35-6/h8,10,13,16-17,20,22-24,34H,7,9,11-12H2,1-6H3/t16-,17+,20?,22+,23-,24-,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=IKMMHMVDQZYOPF-XZSPHJFUSA-N
Formula: C29H36O10
Molecular Weight: 544.591257
Exact Mass: 544.230847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wu, J., Xiao, Z., Song, Y., Zhang, S., Xiao, Q., Ma, C., Ding, H., Li, Q. Magn Reson Chem (2006) 44, 87-9
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) | 212.1 |
| 2 (CH) | 51.03 |
| 3 (CH) | 86.16 |
| 4 (C) | 36.87 |
| 5 (CH) | 42.86 |
| 6 (CH2) | 32.22 |
| 7 (C) | 173.57 |
| 8 (C) | 81.37 |
| 9 (CH) | 45.17 |
| 10 (C) | 50.19 |
| 11 (CH2) | 16.98 |
| 12 (CH2) | 28.18 |
| 13 (C) | 40.03 |
| 14 (C) | 73.51 |
| 15 (CH2) | 36.43 |
| 16 (C) | 168.68 |
| 17 (CH) | 75.53 |
| 18 (CH3) | 15.72 |
| 19 (CH3) | 16.35 |
| 20 (C) | 121.05 |
| 21 (CH) | 140.45 |
| 22 (CH) | 109.95 |
| 23 (CH) | 143.49 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 18.98 |
| 30 (CH) | 75.93 |
| 7a (CH3) | 51.56 |
| 30a (C) | 169.17 |
| 30b (CH3) | 20.81 |
