Spektraris NMR
7-Oxomogroside II E
Common Name: 7-Oxomogroside II E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O15/c1-19(9-11-28(39(4,5)53)57-37-34(52)32(50)30(48)25(18-44)55-37)20-13-14-40(6)35-23(45)15-22-21(42(35,8)26(46)16-41(20,40)7)10-12-27(38(22,2)3)56-36-33(51)31(49)29(47)24(17-43)54-36/h15,19-21,24-37,43-44,46-53H,9-14,16-18H2,1-8H3/t19-,20-,21-,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,40+,41-,42-/m1/s1
InChIKey: InChIKey=FWZTWVRLFHUUMC-GRBRNRDQSA-N
Formula: C42H70O15
Molecular Weight: 814.997834
Exact Mass: 814.471472
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Hayakawa, Y., Tokuda, H., Banno, N., Shimizu, N., Suzuki, T., Kimura, Y. J Nat Prod (2007) 70, 783-8
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) | 27 |
| 2 (CH2) | 29 |
| 3 (CH) | 87.8 |
| 4 (C) | 43.9 |
| 5 (C) | 170.6 |
| 6 (CH) | 125.2 |
| 7 (C) | 201.2 |
| 8 (CH) | 60 |
| 9 (C) | 40.7 |
| 10 (CH) | 39.3 |
| 11 (CH) | 76.7 |
| 12 (CH2) | 40.7 |
| 13 (C) | 47 |
| 14 (C) | 48.6 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 26.6 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 33.4 |
| 23 (CH2) | 29.6 |
| 24 (CH) | 90.8 |
| 25 (C) | 72 |
| 26 (CH3) | 25.3 |
| 27 (CH3) | 27 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 25.6 |
| 30 (CH3) | 19.5 |
| 1' (CH) | 107.1 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63 |
| 1'' (CH) | 105.9 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.7 |
