Spektraris NMR
Dicerandrol C
Common Name: Dicerandrol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H38O16/c1-15-11-23(43)29-33(47)27-25(53-37(29,13-49-17(3)39)35(15)51-19(5)41)9-7-21(31(27)45)22-8-10-26-28(32(22)46)34(48)30-24(44)12-16(2)36(52-20(6)42)38(30,54-26)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1
InChIKey: InChIKey=LYWOIRXBEDUAPM-ACMZUNAXSA-N
Formula: C38H38O16
Molecular Weight: 750.700192
Exact Mass: 750.215985
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) | 118.8 |
| 3 (CH) | 141.2 |
| 4 (CH) | 108.8 |
| 4a (C) | 158.6 |
| 5 (CH) | 71.6 |
| 6 (CH) | 28.5 |
| 7 (CH2) | 34.1 |
| 8 (C) | 180.4 |
| 8a (C) | 101.5 |
| 9 (C) | 189 |
| 9a (C) | 107.3 |
| 10a (C) | 82 |
| 1' (C) | 160.3 |
| 2' (C) | 118.8 |
| 3' (CH) | 141.2 |
| 4' (CH) | 108.8 |
| 4'a (C) | 158.6 |
| 5' (CH) | 71.6 |
| 6' (CH) | 28.5 |
| 7' (CH2) | 34.1 |
| 8' (C) | 180.4 |
| 8'a (C) | 101.5 |
| 9' (C) | 189 |
| 9'a (C) | 107.3 |
| 10'a (C) | 82 |
| 1'' (CH2) | 66.1 |
| 1''' (CH2) | 66.1 |
| 5a (C) | 171.3 |
| 5b (CH3) | 21 |
| 6a (CH3) | 17.7 |
| 5'a (C) | 171.3 |
| 5'b (CH3) | 21 |
| 6'a (CH3) | 17.7 |
| 1''a (C) | 171.1 |
| 1''b (CH3) | 20.9 |
| 1'''a (C) | 171.1 |
| 1'''b (CH3) | 20.9 |
