Spektraris NMR
Revandchinone-4
Common Name: Revandchinone-4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-40-33(39)26-19-24(23-34)20-28(36)30(26)32(38)31-27(33)21-25(35)22-29(31)37/h19-22,34-37,39H,2-18,23H2,1H3
InChIKey: InChIKey=ABZUEKDPGNIZLP-UHFFFAOYSA-N
Formula: C33H48O7
Molecular Weight: 556.731275
Exact Mass: 556.340004
NMR Solvent: DMSO-d6
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) | 109.4 |
| 3 (C) | 162.8 |
| 4 (CH) | 125.2 |
| 5 (CH) | 134.2 |
| 6 (C) | 154.6 |
| 7 (CH) | 121.5 |
| 8 (C) | 163 |
| 9 (C) | 182.3 |
| 10 (C) | 120.1 |
| 11 (C) | 134 |
| 12 (C) | 126.5 |
| 13 (C) | 117.9 |
| 14 (C) | 138 |
| 1' (CH2) | 49.4 |
| 2' (CH2) | 32 |
| 3' (CH2) | 31.3 |
| 4' (CH2) | 25 |
| 5' (CH2) | 25 |
| 6' (CH2) | 25 |
| 7' (CH2) | 25 |
| 8' (CH2) | 25 |
| 9' (CH2) | 25 |
| 10' (CH2) | 25 |
| 11' (CH2) | 25 |
| 12' (CH2) | 25 |
| 13' (CH2) | 25 |
| 14' (CH2) | 25 |
| 15' (CH2) | 25 |
| 16' (CH2) | 25 |
| 17' (CH2) | 25 |
| 18' (CH3) | 14.7 |
| 6a (CH2) | 62.9 |
