Spektraris NMR
Xylogranatin D
Common Name: Xylogranatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O11/c1-16(2)28(37)43-26-24-27(41-17(3)34)32-19(31(7,33(24,38)44-32)20(29(26,4)5)13-22(35)39-8)9-11-30(6)21(32)14-23(36)42-25(30)18-10-12-40-15-18/h10,12,14-16,19-20,24-27,38H,9,11,13H2,1-8H3/t19-,20+,24?,25+,26-,27-,30-,31-,32-,33?/m1/s1
InChIKey: InChIKey=DXCUZFJHGRUAHO-ZLBJFLKYSA-N
Formula: C33H42O11
Molecular Weight: 614.68125
Exact Mass: 614.272712
NMR Solvent: CD3OD
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) | 109 |
| 2 (CH) | 54.3 |
| 3 (CH) | 75.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 42 |
| 6 (CH2) | 32.9 |
| 7 (C) | 175.9 |
| 8 (C) | 82.2 |
| 9 (CH) | 52.8 |
| 10 (C) | 44.2 |
| 11 (CH2) | 15.9 |
| 12 (CH2) | 26.2 |
| 13 (C) | 40 |
| 14 (C) | 163.2 |
| 15 (CH) | 118 |
| 16 (C) | 165.8 |
| 17 (CH) | 83 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 20.9 |
| 20 (C) | 121.5 |
| 21 (CH) | 142.8 |
| 22 (CH) | 111 |
| 23 (CH) | 144.5 |
| 28 (CH3) | 22.5 |
| 29 (CH3) | 25.2 |
| 30 (CH) | 78.2 |
| 3a (C) | 177.4 |
| 3b (CH) | 35.5 |
| 3c (CH3) | 19.5 |
| 3ba (CH3) | 19.2 |
| 7a (CH3) | 52.4 |
| 30a (C) | 172 |
| 30b (CH3) | 21.4 |
