Spektraris NMR
Beesioside A
Common Name: Beesioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O9/c1-29(2)21-7-8-22-31(5)15-19(37)27(32(6)11-9-24(44-32)30(3,4)41)35(31,18-36)14-13-34(22)17-33(21,34)12-10-23(29)43-28-26(40)25(39)20(38)16-42-28/h19-28,36-41H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26+,27-,28-,31-,32-,33+,34-,35-/m0/s1
InChIKey: InChIKey=KCAKQJIYVPOAJA-FRSDAVEBSA-N
Formula: C35H58O9
Molecular Weight: 622.830964
Exact Mass: 622.408083
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) | 32.2 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 88.5 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 47.6 |
| 9 (C) | 20.2 |
| 10 (C) | 26.8 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 29.2 |
| 13 (C) | 51.8 |
| 14 (C) | 47 |
| 15 (CH2) | 49.1 |
| 16 (CH) | 72.8 |
| 17 (CH) | 55.7 |
| 18 (CH2) | 65.8 |
| 19 (CH2) | 30.4 |
| 20 (C) | 86.4 |
| 21 (CH3) | 26 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 24.6 |
| 24 (CH) | 85.3 |
| 25 (C) | 70.8 |
| 26 (CH3) | 28.3 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 22.6 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
