Spektraris NMR
Guttiferone I
Common Name: Guttiferone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H50O6/c1-23(2)11-10-12-26(7)18-19-37-22-28(15-13-24(3)4)36(8,9)38(35(37)44,20-17-25(5)6)34(43)31(33(37)42)32(41)27-14-16-29(39)30(40)21-27/h11,13-14,16-18,21,28,39-40,42H,10,12,15,19-20,22H2,1-9H3/b26-18+/t28-,37-,38+/m0/s1
InChIKey: InChIKey=WBBLTYZSPRMLOP-AJJSVUCYSA-N
Formula: C38H50O6
Molecular Weight: 602.801431
Exact Mass: 602.360739
NMR Solvent: M+TFA
MHz:
Calibration:
NMR references: 13C - Nguyen, L.H., Venkatraman, G., Sim, K.Y., Harrison, L.J. Phytochemistry (2005) 66, 1718-23
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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) | 118.4 |
| 2 (C) | 195.4 |
| 3 (C) | 68.1 |
| 4 (C) | 209.8 |
| 5 (C) | 61.8 |
| 6 (C) | 194.9 |
| 1' (C) | 129.6 |
| 2' (CH) | 117.3 |
| 3' (C) | 146.2 |
| 4' (C) | 152.5 |
| 5' (CH) | 115.1 |
| 6' (CH) | 125.2 |
| 7' (C) | 196 |
| 1'' (C) | 47.9 |
| 2'' (CH) | 41 |
| 3'' (CH2) | 40.7 |
| 4'' (CH3) | 23.2 |
| 5'' (CH3) | 27.3 |
| 1''' (CH2) | 27.1 |
| 2''' (CH) | 120.8 |
| 3''' (C) | 135.7 |
| 4''' (CH3) | 25.9 |
| 5''' (CH3) | 18.2 |
| 1'''' (CH2) | 31.8 |
| 2'''' (CH) | 120.5 |
| 3'''' (C) | 139.2 |
| 4'''' (CH2) | 27.7 |
| 5'''' (CH2) | 27.8 |
| 6'''' (CH) | 125.1 |
| 7'''' (C) | 132.2 |
| 8'''' (CH3) | 25.9 |
| 9'''' (CH3) | 17.8 |
| 10'''' (CH3) | 16.8 |
| 1''''' (CH2) | 30.1 |
| 2''''' (CH) | 125.4 |
| 3''''' (C) | 133.7 |
| 4''''' (CH3) | 18.1 |
| 5''''' (CH3) | 26.3 |
