Spektraris NMR
Beesioside E
Common Name: Beesioside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O10/c1-29(2)19-7-8-20-32(6)27(41)25(40)26(31(5)11-9-22(45-31)30(3,4)42)35(32,17-36)14-13-34(20)16-33(19,34)12-10-21(29)44-28-24(39)23(38)18(37)15-43-28/h18-28,36-42H,7-17H2,1-6H3/t18-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,31+,32-,33-,34+,35+/m1/s1
InChIKey: InChIKey=BANZWCKTTWTQOO-WTBFXURJSA-N
Formula: C35H58O10
Molecular Weight: 638.830369
Exact Mass: 638.402998
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ju, J.H., Liu, D., Lin, G., Xu, X.D., Han, B., Yang, J.S., Tu, G.Z., Ma, L.B. J Nat Prod (2002) 65, 42-7
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) | 47.8 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 48.5 |
| 9 (C) | 20.5 |
| 10 (C) | 26.7 |
| 11 (CH2) | 26.6 |
| 12 (CH2) | 29.7 |
| 13 (C) | 53.1 |
| 14 (C) | 49.7 |
| 15 (CH) | 87 |
| 16 (CH) | 82.6 |
| 17 (CH) | 53.4 |
| 18 (CH2) | 65.9 |
| 19 (CH2) | 30.5 |
| 20 (C) | 86.4 |
| 21 (CH3) | 26.4 |
| 22 (CH2) | 37 |
| 23 (CH2) | 24.7 |
| 24 (CH) | 85.4 |
| 25 (C) | 70.6 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 28.4 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 13.6 |
| 1' (CH) | 107.4 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67 |
