Spektraris NMR
Cyclogaleginoside D
Common Name: Cyclogaleginoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O15/c1-20(45)54-32-28(49)23(48)18-53-36(32)56-26-10-12-43-19-42(43)14-13-39(6)34(22(47)16-40(39,7)25(42)15-21(46)33(43)37(26,2)3)41(8)11-9-27(57-41)38(4,5)58-35-31(52)30(51)29(50)24(17-44)55-35/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36-,39+,40-,41-,42-,43+/m0/s1
InChIKey: InChIKey=BVVSTNIVWGXVJG-AHEIWIJKSA-N
Formula: C43H70O15
Molecular Weight: 827.00857
Exact Mass: 826.471472
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Alaniya, M.D., Gigoshvili, T.I., Kavtaradze, N.S. Chem Nat Compd (2006) 42, 310-2
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) | 33.05 |
| 2 (CH2) | 30.31 |
| 3 (CH) | 91.62 |
| 4 (C) | 42.7 |
| 5 (CH) | 54.3 |
| 6 (CH) | 69.67 |
| 7 (CH2) | 38.85 |
| 8 (CH) | 48.55 |
| 9 (C) | 21.8 |
| 10 (C) | 30.46 |
| 11 (CH2) | 27.02 |
| 12 (CH2) | 34.13 |
| 13 (C) | 47.72 |
| 14 (C) | 47.35 |
| 15 (CH2) | 49.12 |
| 16 (CH) | 74.4 |
| 17 (CH) | 56.21 |
| 18 (CH3) | 21.4 |
| 19 (CH2) | 32.23 |
| 20 (C) | 88.74 |
| 21 (CH3) | 24 |
| 22 (CH2) | 27.92 |
| 23 (CH2) | 24.2 |
| 24 (CH) | 86.32 |
| 25 (C) | 78.89 |
| 26 (CH3) | 24.89 |
| 27 (CH3) | 23.4 |
| 28 (CH3) | 28.65 |
| 29 (CH3) | 20.82 |
| 30 (CH3) | 16.26 |
| 1' (CH) | 104.8 |
| 2' (CH) | 76.02 |
| 3' (CH) | 75 |
| 4' (CH) | 71.31 |
| 5' (CH2) | 66.65 |
| 1'' (CH) | 99.1 |
| 2'' (CH) | 75.05 |
| 3'' (CH) | 77.66 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 77.63 |
| 6'' (CH2) | 62.8 |
| 2'a (C) | 169.5 |
| 2'b (CH3) | 21.1 |
