Spektraris NMR
Bacopaside VI
Common Name: Bacopaside VI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O15S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)55-34-31(46)32(23(42)16-51-34)56-35-30(45)29(44)28(43)24(54-35)17-57(48,49)50/h14,21-35,42-47,57H,8-13,15-19H2,1-7H3,(H2,48,49,50)/t21?,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,35+,37+,38-,39+,40+,41-/m1/s1
InChIKey: InChIKey=LCLZLKZVHHABQN-FKZFBWIMSA-N
Formula: C41H67O15S1
Molecular Weight: 832.029361
Exact Mass: 831.420067
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, Y., Shen, Y.H., Zhang, C., Su, J., Liu, R.H., Zhang, W.D. J Nat Prod (2007) 70, 652-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 38 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 87.7 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 17.5 |
| 7 (CH2) | 35.8 |
| 8 (C) | 36.6 |
| 9 (CH) | 52 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 35.8 |
| 14 (C) | 52.4 |
| 15 (CH2) | 35.2 |
| 16 (C) | 109.1 |
| 17 (CH) | 50 |
| 18 (CH2) | 64.7 |
| 19 (CH3) | 15.9 |
| 20 (C) | 70.6 |
| 21 (CH3) | 25.9 |
| 22 (CH) | 44.5 |
| 23 (CH2) | 64.9 |
| 24 (CH) | 123.1 |
| 25 (C) | 132.1 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 16.2 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 105.5 |
| 2' (CH) | 70.1 |
| 3' (CH) | 82.9 |
| 4' (CH) | 67.3 |
| 5' (CH2) | 65.7 |
| 1''' (CH) | 104.3 |
| 2''' (CH) | 73.8 |
| 3''' (CH) | 75.8 |
| 4''' (CH) | 69.8 |
| 5''' (CH) | 74.8 |
| 6''' (CH2) | 65.7 |
