Spektraris NMR
Shizukaol O
Common Name: Shizukaol O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O14/c1-16(13-41)8-29(45)53-15-39(50)24-11-23(24)37(3)25(39)12-22-20(14-52-28(44)7-6-27(42)43)36(49)54-40(22)26(37)10-19-18-9-21(18)38(4)31(19)32(40)30(33(46)34(38)47)17(2)35(48)51-5/h8,18,21,23-26,32,34,41,47,50H,6-7,9-15H2,1-5H3,(H,42,43)/b16-8+,30-17-/t18-,21-,23-,24+,25-,26+,32+,34+,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=NTBPSDGZVJOPGC-RCNNXFIWSA-N
Formula: C40H46O14
Molecular Weight: 750.78638
Exact Mass: 750.288756
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) | 25.6 |
| 2 (CH2) | 15.7 |
| 3 (CH) | 24.6 |
| 4 (C) | 142.1 |
| 5 (C) | 131.9 |
| 6 (CH) | 40.6 |
| 7 (C) | 131.6 |
| 8 (C) | 200.4 |
| 9 (CH) | 79.8 |
| 10 (C) | 50.9 |
| 11 (C) | 146.6 |
| 12 (C) | 171.6 |
| 13 (CH3) | 20.1 |
| 14 (CH3) | 15.1 |
| 15 (CH2) | 25.1 |
| 1' (CH) | 25.3 |
| 2' (CH2) | 11.7 |
| 3' (CH) | 27.6 |
| 4' (C) | 77 |
| 5' (CH) | 60.8 |
| 6' (CH2) | 23 |
| 7' (C) | 171 |
| 8' (C) | 93.3 |
| 9' (CH) | 55.5 |
| 10' (C) | 44.6 |
| 11' (C) | 123.1 |
| 12' (C) | 172.3 |
| 13' (CH2) | 55.7 |
| 14' (CH3) | 26.2 |
| 15' (CH2) | 71.1 |
| 1'' (C) | 166.9 |
| 2'' (CH) | 112.6 |
| 3'' (C) | 159.4 |
| 4'' (CH2) | 66.6 |
| 5'' (CH3) | 15.6 |
| 6'' (C) | 172.4 |
| 7'' (CH2) | 28.6 |
| 8'' (CH2) | 28.6 |
| 9'' (C) | 175.1 |
| 12a (CH3) | 52.7 |
