Spektraris NMR
Momordin IIb
Common Name: Momordin IIb
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=YOSRLTNUOCHBEA-SGVKAIFKSA-N
Formula: C42H66O14
Molecular Weight: 794.966666
Exact Mass: 794.445257
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - de Rosa, S., Iodice, C., Mitova, M., Handjieva, N., Popov, S., Anchev, M. Phytochemistry (2000) 54, 751-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.6 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.8 |
| 13 (C) | 144 |
| 14 (C) | 42 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 23.3 |
| 17 (C) | 46.9 |
| 18 (CH) | 41.6 |
| 19 (CH) | 46.1 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 32.4 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 26 |
| 28 (C) | 176.6 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 1' (CH) | 95.5 |
| 2' (CH) | 73.9 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71 |
| 5' (CH) | 79 |
| 6' (CH2) | 62.1 |
| 1'' (CH) | 107 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 73.2 |
| 5'' (CH) | 77.5 |
| 6'' (C) | 172.7 |
