Spektraris NMR
Revandchinone-1
Common Name: Revandchinone-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)40-34-26-20-24(2)21-28(35)31(26)33(38)32-27(34)22-25(39-3)23-29(32)36/h20-23,34-36H,4-19H2,1-3H3
InChIKey: InChIKey=LAPBTKRINITSRX-UHFFFAOYSA-N
Formula: C34H48O6
Molecular Weight: 552.742606
Exact Mass: 552.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Babu K.S., Srinivas P.V., Praveen B., Kishore K.S., Murty U.S., Rao J.M. Phytochemistry (2003) 62, 203-7
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) | 162.5 |
| 2 (CH) | 106.7 |
| 3 (C) | 165.2 |
| 4 (CH) | 108.2 |
| 5 (CH) | 124.5 |
| 6 (C) | 148.4 |
| 7 (CH) | 121.2 |
| 8 (C) | 166.5 |
| 9 (C) | 190 |
| 10 (CH) | 69.2 |
| 11 (C) | 133.2 |
| 12 (C) | 113.2 |
| 13 (C) | 110.2 |
| 14 (C) | 135.3 |
| 1' (C) | 181.5 |
| 2' (CH2) | 31.9 |
| 3' (CH2) | 25.6 |
| 4' (CH2) | 25.6 |
| 5' (CH2) | 25.6 |
| 6' (CH2) | 25.6 |
| 7' (CH2) | 25.6 |
| 8' (CH2) | 25.6 |
| 9' (CH2) | 34.5 |
| 10' (CH2) | 33 |
| 11' (CH2) | 25.6 |
| 12' (CH2) | 25.6 |
| 13' (CH2) | 25.6 |
| 14' (CH2) | 25.6 |
| 15' (CH2) | 25.6 |
| 16' (CH2) | 25.6 |
| 17' (CH2) | 25.6 |
| 18' (CH3) | 25.6 |
| 3a (CH3) | 22.1 |
| 6a (CH3) | 56.1 |
