Spektraris NMR
Cyclocanthoside G
Common Name: Cyclocanthoside G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H80O19/c1-20(8-9-27(52)43(4,5)60)29-21(50)15-45(7)26-14-23(63-40-35(58)33(56)31(54)25(17-49)64-40)38-42(2,3)28(10-11-47(38)19-46(26,47)13-12-44(29,45)6)65-41-37(30(53)22(51)18-61-41)66-36-34(57)32(55)24(16-48)62-39(36)59/h20-41,48-60H,8-19H2,1-7H3/t20-,21+,22-,23+,24-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,44-,45+,46+,47-/m1/s1
InChIKey: InChIKey=PRGKSPHYFKSLQP-IWAMSTBVSA-N
Formula: C47H80O19
Molecular Weight: 949.128541
Exact Mass: 948.52938
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) | 32.1 |
| 2 (CH2) | 28.56 |
| 3 (CH) | 88.39 |
| 4 (C) | 42.63 |
| 5 (CH) | 52.28 |
| 6 (CH) | 78.87 |
| 7 (CH2) | 33.95 |
| 8 (CH) | 45.09 |
| 9 (C) | 21.43 |
| 10 (C) | 30.06 |
| 11 (CH2) | 26.29 |
| 12 (CH2) | 33.19 |
| 13 (C) | 45.82 |
| 14 (C) | 46.89 |
| 15 (CH2) | 47.69 |
| 16 (CH) | 71.98 |
| 17 (CH) | 57.11 |
| 18 (CH3) | 18.23 |
| 19 (CH2) | 27.88 |
| 20 (CH) | 28.28 |
| 21 (CH3) | 18.34 |
| 22 (CH2) | 32.98 |
| 23 (CH2) | 27.7 |
| 24 (CH) | 77.12 |
| 25 (C) | 72.55 |
| 26 (CH3) | 25.75 |
| 27 (CH3) | 26.43 |
| 28 (CH3) | 28.64 |
| 29 (CH3) | 19.72 |
| 30 (CH3) | 16.56 |
| 1' (CH) | 105.36 |
| 2' (CH) | 83.86 |
| 3' (CH) | 76.93 |
| 4' (CH) | 70.9 |
| 5' (CH2) | 66.58 |
| 1'' (CH) | 106.25 |
| 2'' (CH) | 75.66 |
| 3'' (CH) | 78.15 |
| 4'' (CH) | 71.91 |
| 5'' (CH) | 77.79 |
| 6'' (CH2) | 63.02 |
| 1''' (CH) | 105.11 |
| 2''' (CH) | 75.66 |
| 3''' (CH) | 78.85 |
| 4''' (CH) | 71.95 |
| 5''' (CH) | 77.97 |
| 6''' (CH2) | 63.2 |
