Spektraris NMR
7-Methoxydeoxymorellin
Common Name: 7-Methoxydeoxymorellin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O7/c1-18(2)10-11-21-27-20(13-14-30(5,6)39-27)25(35)24-26(36)22-16-32(38-9)17-23-31(7,8)41-33(29(32)37,15-12-19(3)4)34(22,23)40-28(21)24/h10,12-14,16,23,35H,11,15,17H2,1-9H3/t23?,32-,33+,34-/m0/s1
InChIKey: InChIKey=USLTUZOWPRBQKK-FYKHOVIFSA-N
Formula: C34H40O7
Molecular Weight: 560.678485
Exact Mass: 560.277404
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reutrakul, V., Anantachoke, N., Pohmakotr, M., Jaipetch, T., Sophasan, S., Yoosook, C., Kasisit, J., Napaswat, C., Santisuk, T., Tuchinda, P. Planta Med (2007) 73, 33-40
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 157.48 |
| 2 (C) | 103.04 |
| 3 (C) | 160.76 |
| 4 (C) | 108.35 |
| 4a (C) | 157.64 |
| 5 (C) | 84.29 |
| 6 (C) | 201.82 |
| 7 (C) | 84.81 |
| 8 (CH) | 134.06 |
| 8a (C) | 132.11 |
| 9 (C) | 178.89 |
| 9a (C) | 100.7 |
| 10a (C) | 89.24 |
| 1' (C) | 115.51 |
| 2' (CH) | 126.23 |
| 3' (CH) | 78.52 |
| 4' (CH3) | 28.27 |
| 5' (CH3) | 28.29 |
| 1'' (CH2) | 21.62 |
| 2'' (CH) | 122.03 |
| 3'' (C) | 131.7 |
| 4'' (CH3) | 25.71 |
| 5'' (CH3) | 18.15 |
| 1''' (CH2) | 28.84 |
| 2''' (CH) | 117.66 |
| 3''' (C) | 135.29 |
| 4''' (CH3) | 16.71 |
| 5''' (CH3) | 25.55 |
| 1'''' (CH2) | 30.21 |
| 2'''' (CH) | 49.79 |
| 3'''' (C) | 83.53 |
| 4'''' (CH3) | 29.01 |
| 5'''' (CH3) | 30.27 |
| 7a (CH3) | 53.93 |
