Spektraris NMR
Revandchine-2
Common Name: Revandchine-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H64O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-39(46)48-43-35-29-28-30-37(44)40(35)42(47)41-36(43)32-34(2)33-38(41)45/h16-17,28-30,32-33,43-45H,3-15,18-27,31H2,1-2H3/b17-16+
InChIKey: InChIKey=KCXOKDXLQOFYJH-WUKNDPDISA-N
Formula: C43H64O5
Molecular Weight: 660.966876
Exact Mass: 660.475375
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) | 162.4 |
| 2 (CH) | 115.7 |
| 3 (C) | 149.1 |
| 4 (CH) | 124.4 |
| 5 (CH) | 124.1 |
| 6 (CH) | 136.8 |
| 7 (CH) | 119.7 |
| 8 (C) | 162.2 |
| 9 (C) | 192.4 |
| 10 (CH) | 68.3 |
| 11 (C) | 133 |
| 12 (C) | 123.1 |
| 13 (C) | 121.1 |
| 14 (C) | 133.5 |
| 1' (C) | 181.7 |
| 2' (CH2) | 31.6 |
| 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' (CH) | 25 |
| 14' (CH) | 25 |
| 15' (CH2) | 25 |
| 16' (CH2) | 25 |
| 17' (CH2) | 25 |
| 18' (CH2) | 25 |
| 19' (CH2) | 25 |
| 20' (CH2) | 25 |
| 21' (CH2) | 25 |
| 22' (CH2) | 25 |
| 23' (CH2) | 25 |
| 24' (CH2) | 25 |
| 25' (CH2) | 25 |
| 26' (CH2) | 25 |
| 27' (CH2) | 25 |
| 28' (CH3) | 13.8 |
| 3a (CH3) | 22.4 |
