Spektraris NMR
sessiloside
Common Name: sessiloside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H76O18/c1-21(2)24-11-16-48(18-17-46(7)26(31(24)48)9-10-29-45(6,14-13-30(50)51)25(22(3)4)12-15-47(29,46)8)44(60)66-43-38(58)35(55)33(53)28(64-43)20-61-41-39(59)36(56)40(27(19-49)63-41)65-42-37(57)34(54)32(52)23(5)62-42/h23-29,31-43,49,52-59H,1,3,9-20H2,2,4-8H3,(H,50,51)/t23-,24-,25-,26+,27+,28+,29+,31+,32-,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=UPYSQKFKPGNSIY-KFVDOPSOSA-N
Formula: C48H76O18
Molecular Weight: 941.108109
Exact Mass: 940.503166
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshizumi, K., Hirano, K., Ando, H., Hirai, Y., Ida, Y., Tsuji, T., Tanaka, T., Satouchi, K., Terao, J. J Agric Food Chem (2006) 54, 335-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 29.5 |
| 2 (CH2) | 35.2 |
| 3 (C) | 174.9 |
| 4 (C) | 148.1 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 24.9 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.7 |
| 9 (CH) | 40.9 |
| 10 (C) | 39.4 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 38.3 |
| 14 (C) | 43.1 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 32.1 |
| 17 (C) | 56.9 |
| 18 (CH) | 49.7 |
| 19 (CH) | 47.3 |
| 20 (C) | 150.8 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 36.7 |
| 23 (CH2) | 113.6 |
| 24 (CH3) | 23.7 |
| 25 (CH3) | 20.5 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.7 |
| 28 (C) | 176.9 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.4 |
| 1' (CH) | 95.2 |
| 2' (CH) | 73.9 |
| 3' (CH) | 78.1 |
| 4' (CH) | 70.7 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 69.3 |
| 1'' (CH) | 105 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 76.4 |
| 4'' (CH) | 78.6 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 61.2 |
| 1''' (CH) | 102.6 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.2 |
| 6''' (CH3) | 18.5 |
