Spektraris NMR
Mogroside II B
Common Name: Mogroside II B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O14/c1-20(9-13-27(45)39(4,5)56-37-35(52)33(50)31(48)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)28(46)17-41(21,40)7)11-14-29(38(22,2)3)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
InChIKey: InChIKey=OMJOQOVMHUWPCF-VHLOEOCYSA-N
Formula: C42H72O14
Molecular Weight: 801.014311
Exact Mass: 800.492207
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) | 26.7 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 87.9 |
| 4 (C) | 42.4 |
| 5 (C) | 144.2 |
| 6 (CH) | 118.4 |
| 7 (CH2) | 24.6 |
| 8 (CH) | 43.5 |
| 9 (C) | 40.1 |
| 10 (CH) | 36.8 |
| 11 (CH) | 77.8 |
| 12 (CH2) | 41.1 |
| 13 (C) | 47.4 |
| 14 (C) | 49.8 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 51.1 |
| 18 (CH3) | 17 |
| 19 (CH3) | 26.3 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 34.5 |
| 23 (CH2) | 29.1 |
| 24 (CH) | 75.7 |
| 25 (C) | 80.6 |
| 26 (CH3) | 22.5 |
| 27 (CH3) | 23 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 26.3 |
| 30 (CH3) | 19.3 |
| 1' (CH) | 107.3 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 97.6 |
| 2'' (CH) | 75.5 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.9 |
| 6'' (CH2) | 62.8 |
