Spektraris NMR
Notoginsenoside ST-3
Common Name: Notoginsenoside ST-3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H74O15/c1-20(16-23(54-9)36(52)40(4,5)53)21-10-14-43(8)29(21)22(46)17-27-41(6)13-12-28(39(2,3)26(41)11-15-42(27,43)7)57-38-35(33(50)31(48)25(19-45)56-38)58-37-34(51)32(49)30(47)24(18-44)55-37/h16,21-38,44-53H,10-15,17-19H2,1-9H3/b20-16-/t21-,22-,23?,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36?,37+,38+,41+,42-,43-/m1/s1
InChIKey: InChIKey=UYKWMKNCBVNDBR-OSDZZSNQSA-N
Formula: C43H74O15
Molecular Weight: 831.040333
Exact Mass: 830.502772
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) | 39.3 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 89 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.4 |
| 8 (C) | 40.3 |
| 9 (CH) | 51 |
| 10 (C) | 37 |
| 11 (CH2) | 33.2 |
| 12 (CH) | 72.2 |
| 13 (CH) | 52 |
| 14 (C) | 51.1 |
| 15 (CH2) | 32.7 |
| 16 (CH2) | 30 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 15.9 |
| 20 (C) | 145.3 |
| 21 (CH3) | 15.5 |
| 22 (CH) | 123.2 |
| 23 (CH) | 78.2 |
| 24 (CH) | 80.7 |
| 25 (C) | 72.5 |
| 26 (CH3) | 28.5 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 16.5 |
| 1' (CH) | 105.2 |
| 2' (CH) | 83.4 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 106.1 |
| 2'' (CH) | 77.2 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.7 |
| 23a (CH3) | 55.4 |
