Spektraris NMR
Myricanol 11-O-b-d-glucopyranoside
Common Name: Myricanol 11-O-b-d-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O10/c1-34-25-18-12-15(21(30)26(25)35-2)5-3-4-6-16(9-7-14-8-10-19(29)17(18)11-14)36-27-24(33)23(32)22(31)20(13-28)37-27/h8,10-12,16,20,22-24,27-33H,3-7,9,13H2,1-2H3/t16-,20+,22+,23-,24+,27+/m0/s1
InChIKey: InChIKey=SOSYVRWCRJIWQG-ZZEDUEFDSA-N
Formula: C27H36O10
Molecular Weight: 520.569786
Exact Mass: 520.230847
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tao, J., Morikawa, T., Toguchida, I., Ando, S., Matsuda, H., Yoshikawa, M. Bioorg Med Chem (2002) 10, 4005-12
Species:
Notes: Family : Aromatics, Type : Biphenyl-cyclophanes, Group : Diarylheptanoids; 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 (C) | 127 |
| 2 (C) | 123.1 |
| 3 (C) | 148.5 |
| 4 (C) | 140.7 |
| 5 (C) | 150.5 |
| 6 (C) | 123.9 |
| 7 (CH2) | 26.6 |
| 8 (CH2) | 26.1 |
| 9 (CH2) | 23.3 |
| 10 (CH2) | 37.1 |
| 11 (CH) | 77 |
| 12 (CH2) | 27.8 |
| 13 (CH2) | 27.7 |
| 14 (C) | 131.6 |
| 15 (CH) | 130 |
| 16 (CH) | 117.1 |
| 17 (C) | 153 |
| 18 (CH) | 134.5 |
| 19 (CH) | 130.6 |
| 1' (CH) | 103.3 |
| 2' (CH) | 75.2 |
| 3' (CH) | 77.4 |
| 4' (CH) | 72 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 63 |
| 3a (CH3) | 61 |
| 4a (CH3) | 60.8 |
