Spektraris NMR
Cyclocanthoside C
Common Name: Cyclocanthoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H72O15/c1-20(9-10-27(47)39(5,6)53)29-22(45)16-41(8)26-15-24(56-37-34(52)32(50)31(49)25(57-37)18-54-21(2)44)35-38(3,4)28(58-36-33(51)30(48)23(46)17-55-36)11-12-43(35)19-42(26,43)14-13-40(29,41)7/h20,22-37,45-53H,9-19H2,1-8H3/t20-,22+,23-,24+,25-,26+,27+,28+,29+,30+,31-,32+,33-,34-,35+,36+,37-,40-,41+,42+,43-/m1/s1
InChIKey: InChIKey=DQRSQCZWGFMALG-HTQDGINUSA-N
Formula: C43H72O15
Molecular Weight: 829.024452
Exact Mass: 828.487122
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) | 32.09 |
| 2 (CH2) | 28.52 |
| 3 (CH) | 88.44 |
| 4 (C) | 42.6 |
| 5 (CH) | 52.19 |
| 6 (CH) | 78.71 |
| 7 (CH2) | 33.59 |
| 8 (CH) | 44.93 |
| 9 (C) | 21.46 |
| 10 (C) | 30.12 |
| 11 (CH2) | 26.31 |
| 12 (CH2) | 33.18 |
| 13 (C) | 45.83 |
| 14 (C) | 46.82 |
| 15 (CH2) | 47.53 |
| 16 (CH) | 72.05 |
| 17 (CH) | 57.16 |
| 18 (CH3) | 18.08 |
| 19 (CH2) | 27.85 |
| 20 (CH) | 28.7 |
| 21 (CH3) | 18.32 |
| 22 (CH2) | 33.04 |
| 23 (CH2) | 27.14 |
| 24 (CH) | 77.18 |
| 25 (C) | 72.55 |
| 26 (CH3) | 25.63 |
| 27 (CH3) | 26.49 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 19.77 |
| 30 (CH3) | 16.69 |
| 1' (CH) | 107.54 |
| 2' (CH) | 75.55 |
| 3' (CH) | 78.48 |
| 4' (CH) | 71.24 |
| 5' (CH2) | 67.01 |
| 1'' (CH) | 105.07 |
| 2'' (CH) | 75.49 |
| 3'' (CH) | 78.71 |
| 4'' (CH) | 71.51 |
| 5'' (CH) | 74.98 |
| 6'' (CH2) | 65.06 |
| 6''a (C) | 170.97 |
| 6''b (CH3) | 21.03 |
