Spektraris NMR
Revandchinone-3
Common Name: Revandchinone-3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H54O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42-29-26-31-35(33(39)27-29)37(41)34-30(36(31)40)24-28(2)25-32(34)38/h24-27,38-39H,3-23H2,1-2H3
InChIKey: InChIKey=PASFAROVHZSTNQ-UHFFFAOYSA-N
Formula: C37H54O5
Molecular Weight: 578.823054
Exact Mass: 578.397125
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) | 107.3 |
| 3 (C) | 165.5 |
| 4 (CH) | 108.5 |
| 5 (CH) | 124 |
| 6 (C) | 148 |
| 7 (CH) | 120.3 |
| 8 (C) | 164.2 |
| 9 (C) | 189.9 |
| 10 (C) | 181.2 |
| 11 (C) | 132.8 |
| 12 (C) | 113.1 |
| 13 (C) | 109 |
| 14 (C) | 135 |
| 1' (CH2) | 34.2 |
| 2' (CH2) | 31.2 |
| 3' (CH2) | 25 |
| 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' (CH2) | 25 |
| 19' (CH2) | 25 |
| 20' (CH2) | 25 |
| 21' (CH2) | 25 |
| 22' (CH3) | 14.3 |
| 6a (CH3) | 22.2 |
