Spektraris NMR
Machilaminoside B
Common Name: Machilaminoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H65N5O16/c1-41(2)19-9-10-25-43(5)13-21(54)35(44(43,6)14-28(56)45(25,7)20(19)11-22(36(41)62)66-40-34(61)32(59)30(57)24(16-53)67-40)46(8,64)27(55)12-26(42(3,4)63)50-37-29-38(48-17-47-37)51(18-49-29)39-33(60)31(58)23(15-52)65-39/h9,11,17-18,20-21,23-26,30-35,39-40,52-54,57-61,63-64H,10,12-16H2,1-8H3,(H,47,48,50)/t20-,21-,23-,24-,25+,26-,30-,31-,32+,33-,34-,35+,39-,40-,43+,44-,45+,46+/m1/s1
InChIKey: InChIKey=URTOXXGIVHAQEK-SNDTUCLLSA-N
Formula: C46H65N5O16
Molecular Weight: 944.034195
Exact Mass: 943.442631
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, M.T., Lin, S., Wang, Y.H., He, W.Y., Li, S., Wang, S.J., Yang, Y.C., Shi, J.G. Org Lett (2007) 9, 129-32
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) | 120.6 |
| 2 (C) | 145.1 |
| 3 (C) | 196.1 |
| 4 (C) | 48.7 |
| 5 (C) | 136.3 |
| 6 (CH) | 120 |
| 7 (CH2) | 23.3 |
| 8 (CH) | 41 |
| 9 (C) | 48.2 |
| 10 (CH) | 34.3 |
| 11 (C) | 213.8 |
| 12 (CH2) | 49.1 |
| 13 (C) | 50 |
| 14 (C) | 47.6 |
| 15 (CH2) | 45.7 |
| 16 (CH) | 69.1 |
| 17 (CH) | 57.8 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 19.7 |
| 20 (C) | 79.1 |
| 21 (CH3) | 25 |
| 22 (C) | 213.3 |
| 23 (CH2) | 38 |
| 24 (CH) | 53.8 |
| 25 (C) | 72.1 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 27.6 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 20.4 |
| 30 (CH3) | 17.7 |
| 1' (CH) | 98.7 |
| 2' (CH) | 72.7 |
| 3' (CH) | 76.9 |
| 4' (CH) | 68.9 |
| 5' (CH) | 77 |
| 6' (CH2) | 60 |
| 1'' (C) | 154.9 |
| 3'' (CH) | 152.1 |
| 5'' (C) | 148.2 |
| 7'' (CH) | 139.9 |
| 9'' (C) | 119.6 |
| 1''' (CH) | 88 |
| 2''' (CH) | 73.3 |
| 3''' (CH) | 70.8 |
| 4''' (CH) | 86 |
| 5''' (CH2) | 61.8 |
