Spektraris NMR
Shizukaol M
Common Name: Shizukaol M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42O10/c1-14(12-37)7-25(38)45-13-35(43)22-10-21(22)33(4)23(35)11-19-15(2)32(42)46-36(19)24(33)9-18-17-8-20(17)34(5)27(18)28(36)26(29(39)30(34)40)16(3)31(41)44-6/h7,17,20-24,28,30,37,40,43H,8-13H2,1-6H3/b14-7+,26-16-/t17-,20-,21-,22+,23-,24+,28+,30+,33+,34+,35+,36+/m1/s1
InChIKey: InChIKey=KLQOLSXBHGJGJD-JCXMIBBCSA-N
Formula: C36H42O10
Molecular Weight: 634.714053
Exact Mass: 634.277798
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) | 25.5 |
| 2 (CH2) | 15.7 |
| 3 (CH) | 24.5 |
| 4 (C) | 141.9 |
| 5 (C) | 132 |
| 6 (CH) | 40.5 |
| 7 (C) | 131.8 |
| 8 (C) | 200.3 |
| 9 (CH) | 79.8 |
| 10 (C) | 50.8 |
| 11 (C) | 146.3 |
| 12 (C) | 171.1 |
| 13 (CH3) | 19.8 |
| 14 (CH3) | 15.1 |
| 15 (CH2) | 25.1 |
| 1' (CH) | 25.2 |
| 2' (CH2) | 11.7 |
| 3' (CH) | 28 |
| 4' (C) | 76.9 |
| 5' (CH) | 60.4 |
| 6' (CH2) | 22.2 |
| 7' (C) | 165.3 |
| 8' (C) | 92.5 |
| 9' (CH) | 55.2 |
| 10' (C) | 44.6 |
| 11' (C) | 124.3 |
| 12' (C) | 173.5 |
| 13' (CH3) | 8.4 |
| 14' (CH3) | 26.1 |
| 15' (CH2) | 70.8 |
| 1'' (C) | 166.8 |
| 2'' (CH) | 112.5 |
| 3'' (C) | 159.5 |
| 4'' (CH2) | 66.7 |
| 5'' (CH3) | 15.7 |
| 12a (CH3) | 52.6 |
