Spektraris NMR
Dicerandrol A
Common Name: Dicerandrol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,39-42H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1
InChIKey: InChIKey=LMADRJRTQXNOEP-FNCICBJWSA-N
Formula: C34H34O14
Molecular Weight: 666.626675
Exact Mass: 666.194856
NMR Solvent: CD3C≡N
MHz:
Calibration:
NMR references: 13C - Wagenaar, M.M., Clardy, J. J Nat Prod (2001) 64, 1006-9
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 160.3 |
| 2 (C) | 118.5 |
| 3 (CH) | 141.1 |
| 4 (CH) | 109 |
| 4a (C) | 158.9 |
| 5 (CH) | 71.8 |
| 6 (CH) | 28.5 |
| 7 (CH2) | 34.1 |
| 8 (C) | 179.9 |
| 8a (C) | 102.3 |
| 9 (C) | 189.1 |
| 9a (C) | 107.3 |
| 10a (C) | 83.8 |
| 1' (C) | 160.3 |
| 2' (C) | 118.5 |
| 3' (CH) | 141.1 |
| 4' (CH) | 109 |
| 4'a (C) | 158.9 |
| 5' (CH) | 71.8 |
| 6' (CH) | 28.5 |
| 7' (CH2) | 34.1 |
| 8' (C) | 179.9 |
| 8'a (C) | 102.3 |
| 9' (C) | 189.1 |
| 9'a (C) | 107.3 |
| 10'a (C) | 83.8 |
| 1'' (CH2) | 65.8 |
| 1''' (CH2) | 65.8 |
| 5a (C) | 171.4 |
| 5b (CH3) | 21 |
| 6a (CH3) | 17.8 |
| 5'a (C) | 171.4 |
| 5'b (CH3) | 21 |
| 6'a (CH3) | 17.8 |
