Spektraris NMR
Notoginsenoside ST-1
Common Name: Notoginsenoside ST-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O10/c1-18(9-10-25(40)33(4,5)44)19-11-14-35(7)26(19)20(38)15-23-34(6)13-12-24(39)32(2,3)30(34)21(16-36(23,35)8)45-31-29(43)28(42)27(41)22(17-37)46-31/h9,19-31,37-44H,10-17H2,1-8H3/b18-9+/t19-,20-,21+,22-,23-,24+,25?,26+,27-,28+,29-,30+,31-,34-,35-,36-/m1/s1
InChIKey: InChIKey=LUAGNOHUTIDEJE-JQIIYICBSA-N
Formula: C36H62O10
Molecular Weight: 654.872868
Exact Mass: 654.434298
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) | 39.5 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.6 |
| 4 (C) | 40.4 |
| 5 (CH) | 61.5 |
| 6 (CH) | 80.1 |
| 7 (CH2) | 45.4 |
| 8 (C) | 41.4 |
| 9 (CH) | 50.5 |
| 10 (C) | 39.8 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 72.5 |
| 13 (CH) | 50.3 |
| 14 (C) | 50.7 |
| 15 (CH2) | 32.5 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 17.4 |
| 20 (C) | 141.8 |
| 21 (CH3) | 13.1 |
| 22 (CH) | 123.9 |
| 23 (CH2) | 31.2 |
| 24 (CH) | 79 |
| 25 (C) | 72.3 |
| 26 (CH3) | 26.6 |
| 27 (CH3) | 26 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 16.9 |
| 1' (CH) | 106.1 |
| 2' (CH) | 75.5 |
| 3' (CH) | 79.7 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.1 |
