Spektraris NMR
Shizukaol L
Common Name: Shizukaol L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O11/c1-13(7-24(37)38)30(41)46-12-35(44)21-10-20(21)33(4)22(35)11-18-14(2)32(43)47-36(18)23(33)9-17-16-8-19(16)34(5)26(17)27(36)25(28(39)29(34)40)15(3)31(42)45-6/h7,16,19-23,27,29,40,44H,8-12H2,1-6H3,(H,37,38)/b13-7+,25-15-/t16-,19-,20-,21+,22-,23+,27+,29+,33+,34+,35+,36+/m1/s1
InChIKey: InChIKey=SJKPVCKDMMDYGC-XOBCCVBQSA-N
Formula: C36H40O11
Molecular Weight: 648.697577
Exact Mass: 648.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.C., Zhang, Y.N., Wang, L.L., Ma, S.P., Liu, J.H., Hu, L.H. J Nat Prod (2008) 71, 674-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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) | 26.3 |
| 2 (CH2) | 15.8 |
| 3 (CH) | 24.7 |
| 4 (C) | 142.3 |
| 5 (C) | 131.6 |
| 6 (CH) | 40.5 |
| 7 (C) | 131.5 |
| 8 (C) | 200.7 |
| 9 (CH) | 80.3 |
| 10 (C) | 51.1 |
| 11 (C) | 147.5 |
| 12 (C) | 170.9 |
| 13 (CH3) | 20.2 |
| 14 (CH3) | 14.3 |
| 15 (CH2) | 25.2 |
| 1' (CH) | 25.4 |
| 2' (CH2) | 12.1 |
| 3' (CH) | 28.3 |
| 4' (C) | 76.9 |
| 5' (CH) | 60.2 |
| 6' (CH2) | 22 |
| 7' (C) | 165 |
| 8' (C) | 92.5 |
| 9' (CH) | 55.5 |
| 10' (C) | 44.6 |
| 11' (C) | 124.8 |
| 12' (C) | 173.5 |
| 13' (CH3) | 8.7 |
| 14' (CH3) | 25.4 |
| 15' (CH2) | 70.8 |
| 1'' (C) | 165.5 |
| 2'' (C) | 144.5 |
| 3'' (CH) | 126.9 |
| 4'' (C) | 170.4 |
| 5'' (CH3) | 15.1 |
| 12a (CH3) | 52.7 |
