Spektraris NMR
9-O-β-glucopyranosylcycloshizukaol A
Common Name: 9-O-β-glucopyranosylcycloshizukaol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O13/c1-35(33(46)48-5)12-17-15-8-19(15)38(4)21(17)10-23(26(41)31(38)51-32-29(44)28(43)27(42)24(13-39)50-32)36(2,34(47)49-6)11-16-14-7-18(14)37(3)20(16)9-22(35)25(40)30(37)45/h9-10,14-15,18-19,24,27-32,39,42-45H,7-8,11-13H2,1-6H3/t14-,15-,18-,19-,24-,27-,28+,29-,30+,31+,32+,35-,36?,37+,38+/m1/s1
InChIKey: InChIKey=LEDBARMCOASGSA-BZYGHHONSA-N
Formula: C38H46O13
Molecular Weight: 710.765503
Exact Mass: 710.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.C., Wang, L.L., Ouyang, X.W., Ma, S.P., Liu, J.H., Hu, L.H. Helv Chim Acta (2009) 92, 313-20
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) | 24.7 |
| 2 (CH2) | 14.8 |
| 3 (CH) | 27.2 |
| 4 (C) | 149.6 |
| 5 (C) | 136.5 |
| 6 (CH) | 139.5 |
| 7 (C) | 138.9 |
| 8 (C) | 199.1 |
| 9 (CH) | 80.9 |
| 10 (C) | 56.1 |
| 11 (C) | 46.9 |
| 12 (C) | 175.9 |
| 13 (CH3) | 28.1 |
| 14 (CH3) | 16.9 |
| 15 (CH2) | 39.1 |
| 1' (CH) | 25.7 |
| 2' (CH2) | 14.3 |
| 3' (CH) | 27.3 |
| 4' (C) | 148.5 |
| 5' (C) | 136.9 |
| 6' (CH) | 139.2 |
| 7' (C) | 139.1 |
| 8' (C) | 198.7 |
| 9' (CH) | 81.2 |
| 10' (C) | 55.7 |
| 11' (C) | 46.9 |
| 12' (C) | 175.9 |
| 13' (CH3) | 28.6 |
| 14' (CH3) | 16.3 |
| 15' (CH2) | 39.2 |
| 1'' (CH) | 100.7 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 75.5 |
| 4'' (CH) | 67.7 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 60.7 |
| 12a (CH3) | 52.1 |
| 12'a (CH3) | 52.2 |
