Spektraris NMR
11-Oxomogroside IIE
Common Name: 11-Oxomogroside IIE
Synonyms: 11-Oxomogroside IIE
CAS Registry Number:
InChI: InChI=1S/C42H70O14/c1-20(9-13-29(39(4,5)52)56-37-35(51)33(49)31(47)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)27(45)17-41(21,40)7)11-14-28(38(22,2)3)55-36-34(50)32(48)30(46)24(18-43)53-36/h10,20-21,23-26,28-37,43-44,46-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
InChIKey: InChIKey=TUFDSEMWRYIOBO-SBBXLVFCSA-N
Formula: C42H70O14
Molecular Weight: 798.998429
Exact Mass: 798.476557
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, D., Ikeda, T., Matsuoka, N., Nohara, T., Zhang, H., Sakamoto, T., Nonaka, G. Chem Pharm Bull (2006) 54, 1425-8
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) | 22.1 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 87.1 |
| 4 (C) | 42 |
| 5 (C) | 141.3 |
| 6 (CH) | 118.5 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 44 |
| 9 (C) | 49 |
| 10 (CH) | 36 |
| 11 (C) | 213.7 |
| 12 (CH2) | 48.7 |
| 13 (C) | 49 |
| 14 (C) | 49.7 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 28 |
| 24 (CH) | 90.5 |
| 25 (C) | 72 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 26.9 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 18.5 |
| 1' (CH) | 107.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63 |
| 1'' (CH) | 105.8 |
| 2'' (CH) | 75.5 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.8 |
