Spektraris NMR
2-O-b-D-glucopyranosylcucurbitacin L
Common Name: 2-O-b-D-glucopyranosylcucurbitacin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O12/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/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKey: InChIKey=QCAZYVAEXLGYLV-HPCBBFKLSA-N
Formula: C36H54O12
Molecular Weight: 678.808152
Exact Mass: 678.361527
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) | 50.2 |
| 5 (C) | 137.5 |
| 6 (CH) | 122.3 |
| 7 (CH2) | 24.6 |
| 8 (CH) | 43.1 |
| 9 (C) | 50.3 |
| 10 (CH) | 36.4 |
| 11 (C) | 216.5 |
| 12 (CH2) | 50.1 |
| 13 (C) | 51.7 |
| 14 (C) | 49.2 |
| 15 (CH2) | 46.8 |
| 16 (CH) | 71.4 |
| 17 (CH) | 59.5 |
| 18 (CH3) | 20.6 |
| 19 (CH3) | 20.6 |
| 20 (C) | 80.8 |
| 21 (CH3) | 25.5 |
| 22 (C) | 217.2 |
| 23 (CH2) | 33.2 |
| 24 (CH2) | 38.1 |
| 25 (C) | 70.8 |
| 26 (CH3) | 29.4 |
| 27 (CH3) | 29.1 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 18.7 |
| 1' (CH) | 101.1 |
| 2' (CH) | 74.3 |
| 3' (CH) | 77.6 |
| 4' (CH) | 70.6 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 61.9 |
