Spektraris NMR
Myricanene A 5-O-a-L-Arabinofuranosyl(1-->6)-b-D-glucopyranoside
Common Name: Myricanene A 5-O-a-L-Arabinofuranosyl(1-->6)-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h3-4,10-13,21-27,31-39H,5-9,14-15H2,1-2H3/b4-3+/t21-,22+,23-,24+,25-,26+,27+,31+,32-/m0/s1
InChIKey: InChIKey=YPIDUTRPMROMSO-NOGPXIDRSA-N
Formula: C32H42O13
Molecular Weight: 634.669324
Exact Mass: 634.262541
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Morikawa, T., Tao, J., Ueda, K., Yoshikawa, M. Chem Pharm Bull (2002) 50, 208-15
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) | 126.2 |
| 2 (C) | 129 |
| 3 (C) | 148.6 |
| 4 (C) | 145.7 |
| 5 (C) | 149.5 |
| 6 (C) | 132.1 |
| 7 (CH2) | 30.8 |
| 8 (CH2) | 25.2 |
| 9 (CH2) | 31.4 |
| 10 (CH) | 134.5 |
| 11 (CH) | 132.5 |
| 12 (CH2) | 35.6 |
| 13 (CH2) | 33.6 |
| 14 (C) | 132.7 |
| 15 (CH) | 128.9 |
| 16 (CH) | 116.1 |
| 17 (C) | 153.2 |
| 18 (CH) | 137 |
| 19 (CH) | 130.2 |
| 1' (CH) | 105.6 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.8 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 68.1 |
| 1'' (CH) | 109.8 |
| 2'' (CH) | 83.1 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 85.7 |
| 5'' (CH2) | 62.5 |
| 3a (CH3) | 61.2 |
| 4a (CH3) | 61.5 |
