Spektraris NMR
2(S)-5,5'-Bisoranjidiol
Common Name: 2(S)-5,5'-Bisoranjidiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H18O8/c1-11-3-5-15-21(25(11)33)29(37)13-7-9-17(31)23(19(13)27(15)35)24-18(32)10-8-14-20(24)28(36)16-6-4-12(2)26(34)22(16)30(14)38/h3-10,31-34H,1-2H3
InChIKey: InChIKey=WFYHQJDUHNWSFJ-UHFFFAOYSA-N
Formula: C30H18O8
Molecular Weight: 506.46025
Exact Mass: 506.100168
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Nunez Montoya, S.C., Agnese, A.M., Cabrera, J.L. J Nat Prod (2006) 69, 801-3
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) | 159.6 |
| 2 (C) | 133.4 |
| 3 (CH) | 136.9 |
| 4 (CH) | 118.4 |
| 4a (C) | 131.6 |
| 5 (C) | 127.1 |
| 6 (C) | 161.5 |
| 7 (CH) | 125.2 |
| 8 (CH) | 128.6 |
| 8a (C) | 120.1 |
| 9 (C) | 187.8 |
| 9a (C) | 114.4 |
| 10 (C) | 182.3 |
| 10a (C) | 132.5 |
| 1' (C) | 159.6 |
| 2' (C) | 133.4 |
| 3' (CH) | 136.9 |
| 4' (CH) | 118.4 |
| 4'a (C) | 131.6 |
| 5' (C) | 127.1 |
| 6' (CH) | 161.5 |
| 7' (CH) | 125.2 |
| 8' (C) | 128.6 |
| 8'a (C) | 120.1 |
| 9' (CH3) | 187.8 |
| 9'a (CH3) | 114.4 |
| 10' (C) | 182.3 |
| 10'a (C) | 132.5 |
| 2a (C) | 15.5 |
| 2'a (C) | 15.5 |
