Spektraris NMR
xylogranatin G
Common Name: xylogranatin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H29NO7/c1-14(30)34-25-17-10-16-18-11-21(31)35-24(15-7-9-33-13-15)27(18,4)8-6-19(16)29-23(17)28(5)20(26(25,2)3)12-22(32)36-28/h7,9-11,13,20,24-25H,6,8,12H2,1-5H3/t20-,24-,25-,27+,28-/m0/s1
InChIKey: InChIKey=HGFHCUWWDIJQON-DVORCMKRSA-N
Formula: C28H29N1O7
Molecular Weight: 491.533465
Exact Mass: 491.194402
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, J., Zhang, S., Bruhn, T., Xiao, Q., Ding, H., Bringmann, G. Chem Eur J (2008) 14, 1129-44
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) | 156.9 |
| 2 (C) | 126.8 |
| 3 (CH) | 76.7 |
| 4 (C) | 35.2 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 30.8 |
| 7 (C) | 174.8 |
| 8 (C) | 124.3 |
| 9 (C) | 158.7 |
| 10 (C) | 83.6 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 30.2 |
| 13 (C) | 37.6 |
| 14 (C) | 156.5 |
| 15 (CH) | 111.7 |
| 16 (C) | 164.8 |
| 17 (CH) | 80.9 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 28.6 |
| 20 (C) | 119.9 |
| 21 (CH) | 141.4 |
| 22 (CH) | 110.1 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 23.9 |
| 29 (CH3) | 20.3 |
| 30 (CH) | 135.7 |
| 3a (C) | 170.1 |
| 3b (CH3) | 20.9 |
