Spektraris NMR
Sapinmusaponin G
Common Name: Sapinmusaponin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O12/c1-21(2)18-23-19-24(37(50-9)53-23)25-12-16-43(8)27-10-11-29-40(4,5)30(14-15-41(29,6)26(27)13-17-42(25,43)7)55-39-36(49)34(47)32(45)28(54-39)20-51-38-35(48)33(46)31(44)22(3)52-38/h10,18,22-26,28-39,44-49H,11-17,19-20H2,1-9H3/t22-,23+,24-,25-,26-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,41+,42-,43+/m0/s1
InChIKey: InChIKey=JCXTUBDLXJSOQG-BEDXFVBKSA-N
Formula: C43H70O12
Molecular Weight: 779.010355
Exact Mass: 778.486728
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, H.C., Tsai, W.J., Morris-Natschke, S.L., Tokuda, H., Lee, K.H., Wu, Y.C., Kuo, Y.H. J Nat Prod (2006) 69, 763-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 37.1 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89.8 |
| 4 (C) | 39.1 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 118.2 |
| 8 (C) | 145.5 |
| 9 (CH) | 49 |
| 10 (C) | 34.6 |
| 11 (CH2) | 17.7 |
| 12 (CH2) | 32.6 |
| 13 (C) | 43.7 |
| 14 (C) | 51.3 |
| 15 (CH2) | 33.7 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 48.6 |
| 18 (CH3) | 22 |
| 19 (CH3) | 12.5 |
| 20 (CH) | 48.3 |
| 21 (CH) | 108.1 |
| 22 (CH2) | 36.2 |
| 23 (CH) | 75.6 |
| 24 (CH) | 127.6 |
| 25 (C) | 134.2 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 14.9 |
| 30 (CH3) | 26.6 |
| 1' (CH) | 105.6 |
| 2' (CH) | 77 |
| 3' (CH) | 74.4 |
| 4' (CH) | 70.5 |
| 5' (CH) | 75.2 |
| 6' (CH2) | 66.9 |
| 1'' (CH) | 100.9 |
| 2'' (CH) | 71.1 |
| 3'' (CH) | 71.2 |
| 4'' (CH) | 72.8 |
| 5'' (CH) | 68.6 |
| 6'' (CH3) | 17 |
| 21a (CH3) | 54 |
