Spektraris NMR
Sapinmusaponin C
Common Name: Sapinmusaponin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O14/c1-20-29(46)31(48)33(50)35(53-20)56-34-32(49)30(47)23(19-43)54-36(34)55-28-14-16-39(6)24-11-10-21-22(42(9,52)26(44)13-15-37(2,3)51)12-17-40(21,7)41(24,8)27(45)18-25(39)38(28,4)5/h13,15,20-36,43-52H,10-12,14,16-19H2,1-9H3/b15-13+/t20-,21+,22-,23+,24+,25-,26?,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,39+,40+,41-,42-/m0/s1
InChIKey: InChIKey=GOJQRQRGOPNVNG-WHRMDDACSA-N
Formula: C42H72O14
Molecular Weight: 801.014311
Exact Mass: 800.492207
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Huang, H.C., Yang Kuo, L.M., Hsu, Y.W., Lee, K.H., Chang, F.R., Wu, Y.C. J Agric Food Chem (2005) 53, 4722-7
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) | 40.41 |
| 2 (CH2) | 27.46 |
| 3 (CH) | 90.03 |
| 4 (C) | 40.26 |
| 5 (CH) | 55.46 |
| 6 (CH2) | 29.1 |
| 7 (CH) | 75.95 |
| 8 (C) | 47.35 |
| 9 (CH) | 51.89 |
| 10 (C) | 37.89 |
| 11 (CH2) | 22.59 |
| 12 (CH2) | 26.44 |
| 13 (CH) | 44.35 |
| 14 (C) | 50.45 |
| 15 (CH2) | 35.42 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 46.22 |
| 18 (CH3) | 10.49 |
| 19 (CH3) | 16.69 |
| 20 (C) | 78.76 |
| 21 (CH3) | 18.73 |
| 22 (CH) | 78.49 |
| 23 (CH) | 126.97 |
| 24 (CH) | 142.01 |
| 25 (C) | 71.17 |
| 26 (CH3) | 29.78 |
| 27 (CH3) | 29.84 |
| 28 (CH3) | 28.38 |
| 29 (CH3) | 17.11 |
| 30 (CH3) | 16.64 |
| 1' (CH) | 105.59 |
| 2' (CH) | 78.76 |
| 3' (CH) | 79.53 |
| 4' (CH) | 72.15 |
| 5' (CH) | 77.62 |
| 6' (CH2) | 62.78 |
| 1'' (CH) | 101.85 |
| 2'' (CH) | 72.06 |
| 3'' (CH) | 72.06 |
| 4'' (CH) | 73.97 |
| 5'' (CH) | 69.98 |
| 6'' (CH3) | 17.98 |
