Spektraris NMR
Xylogranatin A,
Common Name: Xylogranatin A,
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O9/c1-8-17(2)28(36)41-27-19-15-32(37)20(31(6,25(19)35)21(29(27,3)4)13-23(33)38-7)9-11-30(5)22(32)14-24(34)40-26(30)18-10-12-39-16-18/h8,10,12,14,16,19-21,26-27,37H,9,11,13,15H2,1-7H3/b17-8+/t19?,20-,21+,26+,27-,30-,31-,32-/m1/s1
InChIKey: InChIKey=FDDAHJOPFVIDEZ-ZDYVGXMVSA-N
Formula: C32H40O9
Molecular Weight: 568.655823
Exact Mass: 568.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, J., Zhang, S., Li, M., Zhou, Y., Xiao, Q. Chem Pharm Bull (2006) 54, 1582-5
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) | 218.2 |
| 2 (CH) | 44.8 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.9 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 33 |
| 7 (C) | 173.9 |
| 8 (C) | 72.1 |
| 9 (CH) | 60.4 |
| 10 (C) | 48.3 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 33.6 |
| 13 (C) | 38.4 |
| 14 (C) | 168.8 |
| 15 (CH) | 115.7 |
| 16 (C) | 165.4 |
| 17 (CH) | 79.8 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 18.6 |
| 20 (C) | 119.8 |
| 21 (CH) | 141.6 |
| 22 (CH) | 110 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 23.3 |
| 29 (CH3) | 22.8 |
| 30 (CH2) | 35 |
| 3a (C) | 166.8 |
| 3b (C) | 128 |
| 3c (CH) | 138.6 |
| 3d (CH3) | 12.2 |
| 3ba (CH3) | 14.6 |
| 7a (CH3) | 52 |
