Spektraris NMR
Bisjaponins B
Common Name: Bisjaponins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H52O12/c1-30(2)8-6-19(42)34-16-51-40(49,24(43)22(30)34)39-18(34)5-10-36(27(39)46)32-13-17(41)21-33(14-32,26(45)37(32)11-12-38(36,37)28(39)47)29(48)52-20-7-9-31(3,4)23-25(44)50-15-35(20,21)23/h17-25,27,41-44,46,49H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22+,23+,24-,25+,27+,32+,33-,34+,35-,36+,37?,38?,39+,40-/m0/s1
InChIKey: InChIKey=FFWZIWRXOQLVBA-KDHIQEPSSA-N
Formula: C40H52O12
Molecular Weight: 724.835214
Exact Mass: 724.345877
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) | 76.6 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 36.9 |
| 4 (C) | 31.6 |
| 5 (CH) | 54 |
| 6 (CH) | 102.3 |
| 7 (C) | 171.6 |
| 8 (C) | 58.1 |
| 9 (CH) | 53 |
| 10 (C) | 51.1 |
| 11 (CH) | 63.2 |
| 12 (CH2) | 35.5 |
| 13 (C) | 35.2 |
| 14 (CH2) | 32.5 |
| 15 (C) | 217.9 |
| 16 (C) | 63.6 |
| 17 (CH2) | 27.1 |
| 18 (CH3) | 33 |
| 19 (CH3) | 23.2 |
| 20 (CH2) | 73.7 |
| 1' (CH) | 73 |
| 2' (CH2) | 30.5 |
| 3' (CH2) | 39.3 |
| 4' (C) | 34 |
| 5' (C) | 60 |
| 6' (CH) | 74.9 |
| 7' (C) | 98.4 |
| 8' (C) | 62.3 |
| 9' (CH) | 54 |
| 10' (C) | 41.7 |
| 11' (CH2) | 19.4 |
| 12' (CH2) | 23.5 |
| 13' (C) | 42.7 |
| 14' (CH) | 74.9 |
| 15' (C) | 226 |
| 16' (C) | 63.9 |
| 17' (CH2) | 27.9 |
| 18' (CH3) | 33 |
| 19' (CH3) | 22.3 |
| 20' (CH2) | 63.2 |
