Spektraris NMR
Beesioside B
Common Name: Beesioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O10/c1-29(2)20-7-8-21-31(5)13-18(37)27(32(6)11-9-24(45-32)30(3,4)42)35(31,17-36)22(39)14-34(21)16-33(20,34)12-10-23(29)44-28-26(41)25(40)19(38)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+/m0/s1
InChIKey: InChIKey=NDUOSBHDSRPZMK-KJUXJUPPSA-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 |
| 3 (CH) | 88.5 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 26.3 |
| 8 (CH) | 46.4 |
| 9 (C) | 21.5 |
| 10 (C) | 27 |
| 11 (CH2) | 39 |
| 12 (CH) | 73.8 |
| 13 (C) | 55.6 |
| 14 (C) | 49 |
| 15 (CH2) | 50.1 |
| 16 (CH) | 72.8 |
| 17 (CH) | 58.6 |
| 18 (CH2) | 61.5 |
| 19 (CH2) | 30.9 |
| 20 (C) | 86.1 |
| 21 (CH3) | 27.6 |
| 22 (CH2) | 34 |
| 23 (CH2) | 25.7 |
| 24 (CH) | 82.7 |
| 25 (C) | 70.1 |
| 26 (CH3) | 28.1 |
| 27 (CH3) | 27.3 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 22.5 |
| 1' (CH) | 107.4 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67 |
