Spektraris NMR
2-O-b-D-glucopyranosylcucurbitacin I
Common Name: 2-O-b-D-glucopyranosylcucurbitacin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKey: InChIKey=LIIOJBIJVPGVGO-JZZAZZIQSA-N
Formula: C36H52O12
Molecular Weight: 676.792271
Exact Mass: 676.345877
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Seger, C., Sturm, S., Mair, M.E., Ellmerer, E.P., Stuppner, H. Magn Reson Chem (2005) 43, 489-91
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 (CH) | 123.7 |
| 2 (C) | 147.2 |
| 3 (C) | 199.8 |
| 4 (C) | 50.1 |
| 5 (C) | 137.5 |
| 6 (CH) | 122.3 |
| 7 (CH2) | 24.6 |
| 8 (CH) | 43.1 |
| 9 (C) | 50.3 |
| 10 (CH) | 36.5 |
| 11 (C) | 216.4 |
| 12 (CH2) | 50.1 |
| 13 (C) | 50.7 |
| 14 (C) | 49.5 |
| 15 (CH2) | 46.8 |
| 16 (CH) | 71.7 |
| 17 (CH) | 59.6 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 20.6 |
| 20 (C) | 79.9 |
| 21 (CH3) | 25.5 |
| 22 (C) | 205 |
| 23 (CH) | 121.3 |
| 24 (CH) | 155.4 |
| 25 (C) | 71.5 |
| 26 (CH3) | 29.2 |
| 27 (CH3) | 29.2 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 18.7 |
| 1' (CH) | 101.2 |
| 2' (CH) | 74.3 |
| 3' (CH) | 77.6 |
| 4' (CH) | 70.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62 |
