Spektraris NMR
Beesioside M
Common Name: Beesioside M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O10/c1-19(38)45-29-27(42)28(34(7)13-11-24(47-34)32(4,5)43)33(6)15-16-37-18-36(37)14-12-23(46-30-26(41)25(40)20(39)17-44-30)31(2,3)21(36)9-10-22(37)35(29,33)8/h20-30,39-43H,9-18H2,1-8H3/t20-,21+,22+,23+,24?,25+,26-,27-,28-,29+,30+,33-,34?,35-,36-,37+/m1/s1
InChIKey: InChIKey=WLWKLTIIRAWGET-QNNICEEQSA-N
Formula: C37H60O10
Molecular Weight: 664.867723
Exact Mass: 664.418648
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) | 32.4 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 88.5 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 26.1 |
| 8 (CH) | 48 |
| 9 (C) | 19.6 |
| 10 (C) | 26.8 |
| 11 (CH2) | 26 |
| 12 (CH2) | 37.5 |
| 13 (C) | 48 |
| 14 (C) | 47.6 |
| 15 (CH) | 90 |
| 16 (CH) | 79.2 |
| 17 (CH) | 54.3 |
| 18 (CH3) | 21.7 |
| 19 (CH2) | 30.5 |
| 20 (C) | 86.1 |
| 21 (CH3) | 28.3 |
| 22 (CH2) | 34.1 |
| 23 (CH2) | 24.3 |
| 24 (CH) | 84.8 |
| 25 (C) | 70.1 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 26.4 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 13.5 |
| 1' (CH) | 107.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67.1 |
| 15a (C) | 171.2 |
| 15b (CH3) | 21.5 |
