Spektraris NMR
Beesioside N
Common Name: Beesioside N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O10/c1-29(2)18-8-9-19-32(6)27(41)25(40)26(31(5)12-10-22(45-31)30(3,4)42)33(32,7)20(37)14-35(19)16-34(18,35)13-11-21(29)44-28-24(39)23(38)17(36)15-43-28/h17-28,36-42H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22?,23+,24-,25-,26+,27+,28+,31?,32-,33-,34-,35+/m1/s1
InChIKey: InChIKey=RXJRCRXMTRIYTO-NDRCOVLSSA-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., 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) | 32.6 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 88.6 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 26.1 |
| 8 (CH) | 49.5 |
| 9 (C) | 20.2 |
| 10 (C) | 27 |
| 11 (CH2) | 37.3 |
| 12 (CH) | 73.7 |
| 13 (C) | 48.9 |
| 14 (C) | 51.7 |
| 15 (CH) | 89.3 |
| 16 (CH) | 80.9 |
| 17 (CH) | 48.5 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 29.7 |
| 20 (C) | 86.5 |
| 21 (CH3) | 28.6 |
| 22 (CH2) | 35.8 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 83.5 |
| 25 (C) | 70.2 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 27.6 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 15.6 |
| 30 (CH3) | 13.8 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.2 |
