Spektraris NMR
Beesioside H
Common Name: Beesioside H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O15/c1-36(2)23-7-8-24-38(5)15-20(45)33(39(6)11-9-26(57-39)37(3,4)52)42(38,19-44)14-13-41(24)18-40(23,41)12-10-25(36)56-35-32(51)30(49)28(47)22(55-35)17-53-34-31(50)29(48)27(46)21(16-43)54-34/h20-35,43-52H,7-19H2,1-6H3/t20-,21+,22+,23-,24-,25-,26?,27+,28+,29-,30-,31+,32+,33-,34+,35-,38-,39?,40+,41-,42-/m0/s1
InChIKey: InChIKey=CPPPESTUUSAHJH-XTTSDOAISA-N
Formula: C42H70O15
Molecular Weight: 814.997834
Exact Mass: 814.471472
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) | 32.2 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.6 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 26.4 |
| 8 (CH) | 47.6 |
| 9 (C) | 20.1 |
| 10 (C) | 26.5 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 29.1 |
| 13 (C) | 51.7 |
| 14 (C) | 46.9 |
| 15 (CH2) | 49 |
| 16 (CH) | 72.7 |
| 17 (CH) | 55.6 |
| 18 (CH2) | 65.7 |
| 19 (CH2) | 30.4 |
| 20 (C) | 86.4 |
| 21 (CH3) | 26 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 24.5 |
| 24 (CH) | 85.2 |
| 25 (C) | 70.8 |
| 26 (CH3) | 28.2 |
| 27 (CH3) | 26.4 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 22.6 |
| 1' (CH) | 106.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.7 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 70.3 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.8 |
