Spektraris NMR
Ginsenoside M1
Common Name: Ginsenoside M1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1
InChIKey: InChIKey=FVIZARNDLVOMSU-IRFFNABBSA-N
Formula: C36H62O8
Molecular Weight: 622.874058
Exact Mass: 622.444469
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lei, J., Li, X., Gong, X.J., Zheng, Y.N. Molecules (2007) 12, 2140-50
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) | 28.1 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.4 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35 |
| 8 (C) | 39.9 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 30.7 |
| 12 (CH) | 70.1 |
| 13 (CH) | 49.3 |
| 14 (C) | 51.3 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 15.9 |
| 20 (C) | 83.2 |
| 21 (CH3) | 22.3 |
| 22 (CH2) | 36 |
| 23 (CH2) | 23.1 |
| 24 (CH) | 125.8 |
| 25 (C) | 130.8 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 16.2 |
| 30 (CH3) | 17.3 |
| 1'' (CH) | 98.1 |
| 2'' (CH) | 75 |
| 3'' (CH) | 79.2 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.7 |
