Spektraris NMR
Bisjaponins A
Common Name: Bisjaponins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H50O12/c1-31(2)7-5-19-37(15-49-25(43)23(31)37)21-17(41)11-33-13-35(21,29(47)51-19)27(45)39(33)9-10-40(39)28(46)36-14-34(33,40)12-18(42)22(36)38-16-50-26(44)24(38)32(3,4)8-6-20(38)52-30(36)48/h17-26,41-44H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,33+,34+,35-,36-,37-,38-,39?,40?/m0/s1
InChIKey: InChIKey=RDJZTFQWDQQSNI-FORQSZPASA-N
Formula: C40H50O12
Molecular Weight: 722.819333
Exact Mass: 722.330227
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, L.B., Yang, J., Li, L.M., Lei, C., Zhao, Y., Huang, S.X., Xiao, W.L., Han, Q.B., Pu, J.X., Sun, H.D. Tetrahedron Lett (2008) 49, 3574-77
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 77.1 |
| 2 (CH2) | 23.9 |
| 3 (CH2) | 37 |
| 4 (C) | 31.6 |
| 5 (CH) | 54.1 |
| 6 (CH) | 102.3 |
| 7 (C) | 171.7 |
| 8 (C) | 57.9 |
| 9 (CH) | 54.1 |
| 10 (C) | 51 |
| 11 (CH) | 62.9 |
| 12 (CH2) | 34.4 |
| 13 (C) | 33.8 |
| 14 (CH2) | 32.2 |
| 15 (C) | 215.6 |
| 16 (C) | 63.6 |
| 17 (CH2) | 23.4 |
| 18 (CH3) | 33 |
| 19 (CH3) | 23.2 |
| 20 (CH2) | 73.8 |
| 1' (C) | 77.1 |
| 2' (CH2) | 23.9 |
| 3' (CH2) | 37 |
| 4' (C) | 31.6 |
| 5' (C) | 54.1 |
| 6' (CH) | 102.3 |
| 7' (C) | 171.7 |
| 8' (C) | 57.9 |
| 9' (CH) | 54.1 |
| 10' (C) | 51 |
| 11' (CH) | 62.9 |
| 12' (CH2) | 34.4 |
| 13' (C) | 33.8 |
| 14' (CH2) | 32.2 |
| 15' (C) | 215.6 |
| 16' (C) | 63.6 |
| 17' (CH2) | 23.4 |
| 18' (CH3) | 33 |
| 19' (CH3) | 23.2 |
| 20' (CH2) | 73.8 |
