Spektraris NMR
Gpc acetate
Common Name: Gpc acetate
Synonyms: Gpc acetate
CAS Registry Number:
InChI: InChI=1S/C38H58O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-32,39,41,44-48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,31-,32-,35+,36-,37+,38+/m1/s1
InChIKey: InChIKey=JXLGHGQDRCPDGI-HEKOSTPLSA-N
Formula: C38H58O13
Molecular Weight: 722.860792
Exact Mass: 722.387742
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mata R., Castaneda P., Camacho M., Delgado G. J Nat Prod (1988) 51, 836-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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 (CH2) | 34.31 |
| 2 (CH) | 83.16 |
| 3 (CH) | 80.53 |
| 4 (C) | 42.51 |
| 5 (C) | 141.74 |
| 6 (CH) | 119 |
| 7 (CH2) | 24.2 |
| 8 (CH) | 33.22 |
| 9 (C) | 48.54 |
| 10 (CH) | 43.24 |
| 11 (C) | 213 |
| 12 (CH2) | 48.87 |
| 13 (C) | 49.11 |
| 14 (C) | 51.03 |
| 15 (CH2) | 46.27 |
| 16 (CH) | 70.84 |
| 17 (CH) | 59.5 |
| 18 (CH3) | 20.28 |
| 19 (CH3) | 19.04 |
| 20 (C) | 79.81 |
| 21 (CH3) | 25.31 |
| 22 (C) | 204.09 |
| 23 (CH) | 122.49 |
| 24 (CH) | 149.9 |
| 25 (C) | 79.65 |
| 26 (CH3) | 26.64 |
| 27 (CH3) | 26.18 |
| 28 (CH3) | 21.74 |
| 29 (CH3) | 29.93 |
| 30 (CH3) | 20.35 |
| 2a (CH) | 106.2 |
| 2b (CH) | 75.79 |
| 2c (CH) | 78.39 |
| 2d (CH) | 71.57 |
| 2e (CH) | 78.2 |
| 2f (CH2) | 62.71 |
| 25a (C) | 169.76 |
| 25b (CH3) | 22.21 |
