Spektraris NMR
Morintrifolin B
Common Name: Morintrifolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O8/c1-9-3-4-10(18(24)26-8-7-19)13(14(9)21)15(22)11-5-6-12(20)17(25-2)16(11)23/h3-6,19-21,23H,7-8H2,1-2H3
InChIKey: InChIKey=ISFDGWRXQCIUKA-UHFFFAOYSA-N
Formula: C18H18O8
Molecular Weight: 362.331419
Exact Mass: 362.100168
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Deng, Y., Chin, Y.W., Chai, H., Keller, W.J., Kinghorn, A.D. J Nat Prod (2007) 70, 2049-52
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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) | 129.5 |
| 2 (C) | 128.3 |
| 3 (CH) | 123.1 |
| 4 (CH) | 132.5 |
| 5 (C) | 133.2 |
| 6 (C) | 153.5 |
| 1' (C) | 116.6 |
| 2' (C) | 158.3 |
| 3' (C) | 136 |
| 4' (C) | 158.7 |
| 5' (CH) | 109.2 |
| 6' (CH) | 129.9 |
| 7' (C) | 202.5 |
| 2a (C) | 167.1 |
| 2b (CH2) | 67.5 |
| 2c (CH2) | 60.8 |
| 5a (CH3) | 16.9 |
| 3'a (CH3) | 60.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.