Spektraris NMR
Xylocarpins F
Common Name: Xylocarpins F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O11/c1-15(32)39-25-23-26(40-16(2)33)30-18(29(6,31(23,36)42-30)19(27(25,3)4)12-21(34)37-7)8-10-28(5)20(30)13-22(35)41-24(28)17-9-11-38-14-17/h9,11,13-14,18-19,23-26,36H,8,10,12H2,1-7H3/t18-,19+,23+,24+,25-,26-,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=AOUYWWJPLUTFAB-KPZOYZNSSA-N
Formula: C31H38O11
Molecular Weight: 586.628016
Exact Mass: 586.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Wu, J., Deng, Z., Proksch, P., Lin, W. J Nat Prod (2007) 70, 772-8
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) | 107.5 |
| 2 (CH) | 53.2 |
| 3 (CH) | 74.2 |
| 4 (C) | 37.3 |
| 5 (CH) | 40.6 |
| 6 (CH2) | 32.1 |
| 7 (C) | 174 |
| 8 (C) | 81.2 |
| 9 (CH) | 51.4 |
| 10 (C) | 42.9 |
| 11 (CH2) | 14.9 |
| 12 (CH2) | 25.1 |
| 13 (C) | 39 |
| 14 (C) | 160.1 |
| 15 (CH) | 117.4 |
| 16 (C) | 163.8 |
| 17 (CH) | 81.6 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 20.6 |
| 20 (C) | 119.9 |
| 21 (CH) | 141.3 |
| 22 (CH) | 109.9 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.8 |
| 30 (CH) | 76.5 |
| 3a (C) | 170.1 |
| 3b (CH3) | 20.7 |
| 7a (CH3) | 52 |
| 30a (C) | 170.3 |
| 30b (CH3) | 21.1 |
