Spektraris NMR
Xylogranatin B
Common Name: Xylogranatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O11/c1-9-17(2)29(38)44-27-25-28(42-18(3)35)33-20(32(7,34(25,39)45-33)21(30(27,4)5)14-23(36)40-8)10-12-31(6)22(33)15-24(37)43-26(31)19-11-13-41-16-19/h9,11,13,15-16,20-21,25-28,39H,10,12,14H2,1-8H3/b17-9+/t20-,21+,25?,26+,27-,28-,31-,32-,33-,34?/m1/s1
InChIKey: InChIKey=MOPOLYKIPLRURH-DCZXOMAWSA-N
Formula: C34H42O11
Molecular Weight: 626.691986
Exact Mass: 626.272712
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) | 107.4 |
| 2 (CH) | 53 |
| 3 (CH) | 74.2 |
| 4 (C) | 37.6 |
| 5 (CH) | 40.8 |
| 6 (CH2) | 32 |
| 7 (C) | 174 |
| 8 (C) | 81.1 |
| 9 (CH) | 51.4 |
| 10 (C) | 43 |
| 11 (CH2) | 14.8 |
| 12 (CH2) | 25 |
| 13 (C) | 39 |
| 14 (C) | 160.3 |
| 15 (CH) | 117.3 |
| 16 (C) | 164 |
| 17 (CH) | 81.5 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 20.5 |
| 20 (C) | 120 |
| 21 (CH) | 141.3 |
| 22 (CH) | 110 |
| 23 (CH) | 142.8 |
| 28 (CH3) | 22 |
| 29 (CH3) | 24.5 |
| 30 (CH) | 76.5 |
| 3a (C) | 167 |
| 3b (C) | 127.9 |
| 3c (CH) | 138.6 |
| 3d (CH3) | 11.9 |
| 3ba (CH3) | 14.5 |
| 7a (CH3) | 51.9 |
| 30a (C) | 170.2 |
| 30b (CH3) | 20.9 |
