Spektraris NMR
Notoginsenoside U
Common Name: Notoginsenoside U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(55-37)19-53-36-33(51)31(49)29(47)24(18-43)54-36)21-11-15-40(6)28(21)22(44)16-26-39(5)14-12-27(46)38(3,4)35(39)23(45)17-41(26,40)7/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22-,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
InChIKey: InChIKey=RZNJATZIIIKWBE-POMDQNRNSA-N
Formula: C42H72O14
Molecular Weight: 801.014311
Exact Mass: 800.492207
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Sun, H., Ye, Y., Pan, Y. Chem Biodivers (2005) 2, 510-5
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) | 39.4 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 78 |
| 4 (C) | 40.2 |
| 5 (CH) | 61.4 |
| 6 (CH) | 67.4 |
| 7 (CH2) | 47.3 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.8 |
| 10 (C) | 40 |
| 11 (CH2) | 31.1 |
| 12 (CH) | 70 |
| 13 (CH) | 49.1 |
| 14 (C) | 51.6 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 28 |
| 17 (CH) | 51.6 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 18 |
| 20 (C) | 83.3 |
| 21 (CH3) | 22.7 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 126.2 |
| 25 (C) | 131.3 |
| 26 (CH3) | 26.6 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 17.9 |
| 1' (CH) | 97.5 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.1 |
| 5' (CH) | 76.2 |
| 6' (CH2) | 69.7 |
| 1'' (CH) | 104.4 |
| 2'' (CH) | 74.8 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 77.7 |
| 6'' (CH2) | 62.1 |
