Spektraris NMR
xyloccensin T
Common Name: xyloccensin T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H40O15/c1-16(36)44-22-13-33-30(6)20(11-23(39)42-8)28(4)15-32(30,41)35(47-18(3)38,26(28)45-17(2)37)27-34(33,50-31(7,48-27)49-33)21-12-24(40)46-25(29(21,22)5)19-9-10-43-14-19/h9-10,12,14,20,22,25-27,41H,11,13,15H2,1-8H3/t20-,22-,25-,26-,27-,28-,29-,30+,31?,32+,33-,34+,35-/m0/s1
InChIKey: InChIKey=HTMCMJXLLHUKQL-MJEQJSAFSA-N
Formula: C35H40O15
Molecular Weight: 700.68446
Exact Mass: 700.236721
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) | 83.8 |
| 2 (C) | 83.6 |
| 3 (CH) | 85 |
| 4 (C) | 44.7 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 32.9 |
| 7 (C) | 174.3 |
| 8 (C) | 84.2 |
| 9 (C) | 86 |
| 10 (C) | 48 |
| 11 (CH2) | 32.6 |
| 12 (CH) | 68.7 |
| 13 (C) | 42.9 |
| 14 (C) | 152.8 |
| 15 (CH) | 124 |
| 16 (C) | 163.5 |
| 17 (CH) | 78.8 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 15.4 |
| 20 (C) | 121.1 |
| 21 (CH) | 142 |
| 22 (CH) | 110.2 |
| 23 (CH) | 143 |
| 28 (CH3) | 14.3 |
| 29 (CH2) | 40.1 |
| 30 (CH) | 74.3 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.9 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.7 |
| 7a (CH3) | 52.2 |
| 8a (C) | 119.8 |
| 8b (CH3) | 16.5 |
| 12a (C) | 169.2 |
| 12b (CH3) | 19.9 |
