Spektraris NMR
xyloccensin U
Common Name: xyloccensin U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O14/c1-15(34)42-20-12-31-28(5)18(10-21(36)40-7)26(3)14-30(28,38)32(39,24(26)43-16(2)35)25-33(31,47-29(6,45-25)46-31)19-11-22(37)44-23(27(19,20)4)17-8-9-41-13-17/h8-9,11,13,18,20,23-25,38-39H,10,12,14H2,1-7H3/t18-,20-,23-,24-,25+,26-,27-,28+,29?,30+,31-,32-,33+/m1/s1
InChIKey: InChIKey=VCEYJROSLKNUID-SEVXOICPSA-N
Formula: C33H38O14
Molecular Weight: 658.647702
Exact Mass: 658.226156
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wu, J., Xiao, Q., Zhang, S., Li, X., Xiao, Z., Ding, H., Li, Q. Tetrahedron (2005) 61, 8382-9
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) | 84.8 |
| 2 (C) | 76.1 |
| 3 (CH) | 86.2 |
| 4 (C) | 45 |
| 5 (CH) | 41.5 |
| 6 (CH2) | 33.4 |
| 7 (C) | 175.5 |
| 8 (C) | 84.9 |
| 9 (C) | 87.4 |
| 10 (C) | 48 |
| 11 (CH2) | 33.1 |
| 12 (CH) | 69.3 |
| 13 (C) | 43.7 |
| 14 (C) | 154.1 |
| 15 (CH) | 124.9 |
| 16 (C) | 163.9 |
| 17 (CH) | 79.3 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 14.8 |
| 20 (C) | 122.6 |
| 21 (CH) | 142.7 |
| 22 (CH) | 111.1 |
| 23 (CH) | 144.4 |
| 28 (CH3) | 15.7 |
| 29 (CH2) | 40 |
| 30 (CH) | 79 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.8 |
| 7a (CH3) | 52.4 |
| 8a (C) | 120.3 |
| 8b (CH3) | 16.6 |
| 12a (C) | 170.1 |
| 12b (CH3) | 20 |
