Spektraris NMR
Beesioside J
Common Name: Beesioside J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H62O12/c1-20(41)48-29-30(35(7)13-11-26(51-35)34(5,6)46)39(19-40)16-15-38-18-37(38)14-12-25(50-32-28(45)27(44)22(43)17-47-32)33(3,4)23(37)9-10-24(38)36(39,8)31(29)49-21(2)42/h22-32,40,43-46H,9-19H2,1-8H3/t22-,23+,24+,25+,26?,27+,28-,29-,30+,31+,32+,35?,36-,37-,38+,39+/m1/s1
InChIKey: InChIKey=AOEKSLVHJZEURZ-SXTIJKGHSA-N
Formula: C39H62O12
Molecular Weight: 722.903886
Exact Mass: 722.424127
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 |
| 3 (CH) | 88.3 |
| 4 (C) | 41.2 |
| 5 (CH) | 46.8 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 47.4 |
| 9 (C) | 19.8 |
| 10 (C) | 26.2 |
| 11 (CH2) | 26 |
| 12 (CH2) | 29.6 |
| 13 (C) | 52.7 |
| 14 (C) | 48.6 |
| 15 (CH) | 84.8 |
| 16 (CH) | 79.2 |
| 17 (CH) | 53.5 |
| 18 (CH2) | 64.9 |
| 19 (CH2) | 29.9 |
| 20 (C) | 84.3 |
| 21 (CH3) | 27.2 |
| 22 (CH2) | 36.6 |
| 23 (CH2) | 25.4 |
| 24 (CH) | 84.2 |
| 25 (C) | 70 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 28 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 14.3 |
| 1' (CH) | 107.3 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.1 |
| 5' (CH2) | 66.9 |
| 15a (C) | 171.5 |
| 15b (CH3) | 21.7 |
| 16a (C) | 170.8 |
| 16b (CH3) | 21.4 |
