Spektraris NMR
Isorhodoptilometrin
Common Name: Isorhodoptilometrin
Synonyms: Isorhodoptilometrin
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3
InChIKey: InChIKey=LCYTUQNPPBLNJZ-UHFFFAOYSA-N
Formula: C17H14O6
Molecular Weight: 314.29011
Exact Mass: 314.079038
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ren, H., Tian, L., Gu, Q., Zhu, W. Arch Pharm Res (2006) 29, 59-63
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 168.9 |
| 2 (CH) | 108.7 |
| 3 (C) | 162.7 |
| 4 (CH) | 109.3 |
| 4a (C) | 134.1 |
| 5 (CH) | 125.4 |
| 6 (C) | 150.8 |
| 7 (CH) | 121.8 |
| 8 (C) | 166.3 |
| 8a (C) | 111 |
| 9 (C) | 190.8 |
| 9a (C) | 114.9 |
| 10 (C) | 182.6 |
| 10a (C) | 136.5 |
| 6a (CH2) | 46.3 |
| 6b (CH) | 68.1 |
| 6c (CH3) | 29.5 |
