Spektraris NMR
Cyclodissectoside
Common Name: Cyclodissectoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H66O13/c1-34(2)25(52-33-29(48)27(46)21(43)17-50-33)9-11-40-18-39(40)13-12-36(5)30(38(7)10-8-24(44)35(3,4)53-38)19(41)15-37(36,6)23(39)14-22(31(34)40)51-32-28(47)26(45)20(42)16-49-32/h19-33,41-48H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32-,33-,36+,37-,38+,39-,40+/m0/s1
InChIKey: InChIKey=MGQIJWDMNXJQQK-WZQGUIJMSA-N
Formula: C40H66O13
Molecular Weight: 754.94579
Exact Mass: 754.450342
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.11 |
| 2 (CH2) | 30.11 |
| 3 (CH) | 88.42 |
| 4 (C) | 42.6 |
| 5 (CH) | 52.35 |
| 6 (CH) | 78.55 |
| 7 (CH2) | 34.24 |
| 8 (CH) | 44.91 |
| 9 (C) | 21.19 |
| 10 (C) | 28.16 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 34.14 |
| 13 (C) | 46.03 |
| 14 (C) | 46.8 |
| 15 (CH2) | 47.26 |
| 16 (CH) | 73.98 |
| 17 (CH) | 60.76 |
| 18 (CH3) | 20.43 |
| 19 (CH2) | 29.59 |
| 20 (C) | 79 |
| 21 (CH3) | 28.84 |
| 22 (CH2) | 26.79 |
| 23 (CH2) | 24.11 |
| 24 (CH) | 68.77 |
| 25 (C) | 75.25 |
| 26 (CH3) | 28.63 |
| 27 (CH3) | 28.16 |
| 28 (CH3) | 28.16 |
| 29 (CH3) | 19.96 |
| 30 (CH3) | 16.71 |
| 1' (CH) | 107.61 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.55 |
| 4' (CH) | 71.26 |
| 5' (CH2) | 67.05 |
| 1'' (CH) | 105.74 |
| 2'' (CH) | 75.36 |
| 3'' (CH) | 78.29 |
| 4'' (CH) | 71.1 |
| 5'' (CH2) | 66.99 |
