Spektraris NMR
Beesioside K
Common Name: Beesioside K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H58O11/c1-19(38)46-26-27-32(6)12-15-37(48-32,31(4,5)43)45-18-36(27)14-13-35-17-34(35)11-10-23(47-29-25(41)24(40)20(39)16-44-29)30(2,3)21(34)8-9-22(35)33(36,7)28(26)42/h20-29,39-43H,8-18H2,1-7H3/t20-,21+,22+,23+,24+,25-,26-,27+,28-,29+,32+,33-,34-,35+,36+,37+/m1/s1
InChIKey: InChIKey=QSNYUAFLCYWOJS-WQGZGXHPSA-N
Formula: C37H58O11
Molecular Weight: 678.851246
Exact Mass: 678.397913
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ju, J.H., Liu, D., Lin, G., Zhang, Y.M., Yang, J.S., Lu, Y., Gong, N.B., Zheng, Q.T. J Nat Prod (2002) 65, 147-52
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.5 |
| 2 (CH2) | 30.9 |
| 3 (CH) | 88.5 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 48.6 |
| 9 (C) | 19.7 |
| 10 (C) | 27.7 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 28.3 |
| 13 (C) | 46.3 |
| 14 (C) | 51.4 |
| 15 (CH) | 81.6 |
| 16 (CH) | 78.5 |
| 17 (CH) | 56.9 |
| 18 (CH2) | 66.9 |
| 19 (CH2) | 31.9 |
| 20 (C) | 87 |
| 21 (CH3) | 32.6 |
| 22 (CH2) | 38 |
| 23 (CH2) | 30.1 |
| 24 (C) | 114.1 |
| 25 (C) | 72.8 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 14.6 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
| 16a (C) | 171 |
| 16b (CH3) | 21.4 |
