Spektraris NMR
Notoginsenoside ST-5
Common Name: Notoginsenoside ST-5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H80O18/c1-42(2,58)13-9-14-47(8,59)22-10-16-46(7)30(22)23(50)18-28-44(5)15-12-29(43(3,4)27(44)11-17-45(28,46)6)63-40-37(34(55)32(53)25(19-48)61-40)65-41-38(35(56)33(54)26(20-49)62-41)64-39-36(57)31(52)24(51)21-60-39/h9,13,22-41,48-59H,10-12,14-21H2,1-8H3/b13-9+/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=JRYCRNFBUWOUGL-PCKFXWCZSA-N
Formula: C47H80O18
Molecular Weight: 933.129136
Exact Mass: 932.534466
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liao, P.Y., Wang, D., Zhang, Y.J., Yang, C.R. J Agric Food Chem (2008) 56, 1751-6
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) | 39.2 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 89 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.5 |
| 10 (C) | 37 |
| 11 (CH2) | 32.2 |
| 12 (CH) | 71.2 |
| 13 (CH) | 49 |
| 14 (C) | 51.8 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 54.2 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 15.9 |
| 20 (C) | 73.4 |
| 21 (CH3) | 27.7 |
| 22 (CH2) | 40.1 |
| 23 (CH) | 123.9 |
| 24 (CH) | 142 |
| 25 (C) | 69.9 |
| 26 (CH3) | 30.8 |
| 27 (CH3) | 30.8 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 16.5 |
| 1' (CH) | 104.8 |
| 2' (CH) | 83 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63 |
| 1'' (CH) | 103.2 |
| 2'' (CH) | 84.6 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 63 |
| 1''' (CH) | 106.5 |
| 2''' (CH) | 76 |
| 3''' (CH) | 77.8 |
| 4''' (CH) | 70.8 |
| 5''' (CH2) | 67.5 |
