Spektraris NMR
Brachyoside C
Common Name: Brachyoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H80O19/c1-20(8-9-28(43(4,5)60)66-41-37(59)34(56)32(54)25(17-49)64-41)29-21(50)15-45(7)26-14-23(62-40-36(58)33(55)31(53)24(16-48)63-40)38-42(2,3)27(65-39-35(57)30(52)22(51)18-61-39)10-11-47(38)19-46(26,47)13-12-44(29,45)6/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=VISHOKYOGNPUOM-XANYYYLLSA-N
Formula: C47H80O19
Molecular Weight: 949.128541
Exact Mass: 948.52938
NMR Solvent: CD3OD
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) | 32.7 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 89.8 |
| 4 (C) | 42.7 |
| 5 (CH) | 52.9 |
| 6 (CH) | 79.9 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 46.6 |
| 9 (C) | 21.9 |
| 10 (C) | 29.8 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 33.7 |
| 13 (C) | 46.3 |
| 14 (C) | 47.1 |
| 15 (CH2) | 48.1 |
| 16 (CH) | 72.5 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 18 |
| 19 (CH2) | 28.9 |
| 20 (CH) | 30.9 |
| 21 (CH3) | 17.5 |
| 22 (CH2) | 33 |
| 23 (CH2) | 29.4 |
| 24 (CH) | 89.7 |
| 25 (C) | 73.5 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 24 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 19.8 |
| 30 (CH3) | 16.2 |
| 1' (CH) | 107.1 |
| 2' (CH) | 75.2 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71 |
| 5' (CH2) | 66.4 |
| 1'' (CH) | 104.6 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 77.6 |
| 6'' (CH2) | 62.7 |
| 1''' (CH) | 104.6 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 77.8 |
| 4''' (CH) | 71.3 |
| 5''' (CH) | 78.2 |
| 6''' (CH2) | 62.2 |
