Spektraris NMR
Hirtusneanine
Common Name: Hirtusneanine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H36O13/c1-11-8-17-21(28(40)23-16(36)7-13(3)30(42)33(23,10-35)46-17)26(38)19(11)20-12(2)9-18-22(27(20)39)29(41)24-25(37)14(4)15(5)31(43)34(24,47-18)32(44)45-6/h8-9,13-15,30-31,35-39,42-43H,7,10H2,1-6H3/t13-,14-,15-,30-,31+,33+,34-/m1/s1
InChIKey: InChIKey=NMGQBHNDXOSTQJ-FIRGKESSSA-N
Formula: C34H36O13
Molecular Weight: 652.643152
Exact Mass: 652.215591
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) | 68.7 |
| 6' (CH) | 28.5 |
| 7' (CH2) | 33.6 |
| 8' (C) | 177.6 |
| 8'a (C) | 102.1 |
| 9' (C) | 186.6 |
| 9'a (C) | 106.3 |
| 10'a (C) | 84.1 |
| 1'' (C) | 171.3 |
| 1''' (CH2) | 68.7 |
| 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 |
