Spektraris NMR
Lotoideside C
Common Name: Lotoideside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H76O16/c1-40(2)28(61-39-35(54)32(51)23(48)19-58-39)12-14-43(6)27-10-9-26-42(5)13-11-20(41(3,4)55)29(42)24(59-37-33(52)30(49)21(46)17-56-37)15-44(26,7)45(27,8)16-25(36(40)43)60-38-34(53)31(50)22(47)18-57-38/h20-39,46-55H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,25+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,42-,43-,44-,45-/m1/s1
InChIKey: InChIKey=LULHEQKFIYRKMT-BAMHIWRVSA-N
Formula: C45H76O16
Molecular Weight: 873.077092
Exact Mass: 872.513336
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Biswas, T., Gupta, M., Achari, B., Pal, B.C. Phytochemistry (2005) 66, 621-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 39.2 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 89.2 |
| 4 (C) | 40.8 |
| 5 (CH) | 60.8 |
| 6 (CH) | 80.3 |
| 7 (CH2) | 43.7 |
| 8 (C) | 43.2 |
| 9 (CH) | 50 |
| 10 (C) | 39.3 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.2 |
| 14 (C) | 44.3 |
| 15 (CH2) | 43.1 |
| 16 (CH) | 79.9 |
| 17 (CH) | 59.3 |
| 18 (C) | 46.6 |
| 19 (CH2) | 41.9 |
| 20 (CH2) | 28.5 |
| 21 (CH) | 52.9 |
| 22 (C) | 73.3 |
| 23 (CH3) | 31.5 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 17.4 |
| 29 (CH3) | 31.3 |
| 30 (CH3) | 27.5 |
| 1' (CH) | 108.1 |
| 2' (CH) | 75.8 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.4 |
| 5' (CH2) | 67.5 |
| 1'' (CH) | 106.5 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 79.2 |
| 4'' (CH) | 71 |
| 5'' (CH2) | 67.2 |
| 1''' (CH) | 104.8 |
| 2''' (CH) | 75.1 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 71.2 |
| 5''' (CH2) | 67.3 |
