Spektraris NMR
Hirtusneanoside
Common Name: Hirtusneanoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O17/c1-12-9-19-23(31(46)25-18(41)8-14(3)35(50)39(25,56-19)11-54-37-34(49)33(48)28(43)17(6)55-37)29(44)21(12)22-13(2)10-20-24(30(22)45)32(47)26-27(42)15(4)16(5)36(51)40(26,57-20)38(52)53-7/h9-10,14-17,28,33-37,41-45,48-51H,8,11H2,1-7H3/t14-,15-,16-,17+,28+,33-,34-,35-,36+,37-,39+,40-/m1/s1
InChIKey: InChIKey=LHQIFHZZZNSCPS-LSWDFQARSA-N
Formula: C40H46O17
Molecular Weight: 798.784594
Exact Mass: 798.2735
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rezanka, T., Sigler, K. J Nat Prod (2007) 70, 1487-91
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) | 159.2 |
| 2 (C) | 116.7 |
| 3 (C) | 149.6 |
| 4 (CH) | 109.2 |
| 4a (C) | 156.8 |
| 5 (CH) | 68.8 |
| 6 (CH) | 31.3 |
| 7 (CH) | 36.7 |
| 8 (C) | 177.8 |
| 8a (C) | 101.3 |
| 9 (C) | 186.8 |
| 9a (C) | 105.7 |
| 10a (C) | 85.1 |
| 1' (C) | 159.6 |
| 2' (C) | 118.1 |
| 3' (C) | 150.2 |
| 4' (CH) | 109.3 |
| 4'a (C) | 156.7 |
| 5' (CH) | 68.9 |
| 6' (CH) | 28.5 |
| 7' (CH2) | 33.6 |
| 8' (C) | 177.6 |
| 8'a (C) | 101.8 |
| 9' (C) | 186.6 |
| 9'a (C) | 106.3 |
| 10'a (C) | 84.4 |
| 1'' (C) | 171.3 |
| 1''' (CH2) | 64.5 |
| 2''' (CH) | 101.1 |
| 3''' (CH) | 72.2 |
| 4''' (CH) | 70.9 |
| 5''' (CH) | 74.5 |
| 6''' (CH) | 69.7 |
| 7''' (CH3) | 18.6 |
| 3a (CH3) | 20.7 |
| 6a (CH3) | 15.6 |
| 7a (CH3) | 17.3 |
| 3'a (CH3) | 20.6 |
| 6'a (CH3) | 17.7 |
| 1''a (CH3) | 54.3 |
