Spektraris NMR
Bacopaside VII
Common Name: Bacopaside VII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22?,23-,24+,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37-,38+,39+,40+,42+,43-,44+,45+,46+/m1/s1
InChIKey: InChIKey=RANQPHKSRUUPKK-TWCQVFTASA-N
Formula: C46H74O17
Molecular Weight: 899.071351
Exact Mass: 898.492601
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) | 38.4 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 88.3 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 35.7 |
| 8 (C) | 37.2 |
| 9 (CH) | 52.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 28.2 |
| 13 (CH) | 36.8 |
| 14 (C) | 53.4 |
| 15 (CH2) | 36.5 |
| 16 (C) | 110.2 |
| 17 (CH) | 53.6 |
| 18 (CH2) | 65.5 |
| 19 (CH3) | 16 |
| 20 (C) | 68.1 |
| 21 (CH3) | 29.7 |
| 22 (CH2) | 45.1 |
| 23 (CH) | 68.3 |
| 24 (CH) | 126.8 |
| 25 (C) | 133.7 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 16.2 |
| 30 (CH3) | 18.5 |
| 1' (CH) | 105.3 |
| 2' (CH) | 76.7 |
| 3' (CH) | 83.2 |
| 4' (CH) | 68.2 |
| 5' (CH2) | 65.4 |
| 1'' (CH) | 110 |
| 2'' (CH) | 83.5 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 84.6 |
| 5'' (CH2) | 61.7 |
| 1''' (CH) | 104.6 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 77.6 |
| 4''' (CH) | 71.2 |
| 5''' (CH) | 78.1 |
| 6''' (CH2) | 62.2 |
