Spektraris NMR
GBB A acetate
Common Name: GBB A acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H46O7/c1-27(46)47-35-19-14-30-10-9-29-7-5-8-33(23-29)49-36-20-16-31(15-11-28-12-17-32(18-13-28)48-38(35)24-30)40-42(36)52-43-41(51-40)34-26-45(4)22-6-21-44(2,3)39(45)25-37(34)50-43/h5,7-8,12-14,16-20,23-24,39,41,43H,6,9-11,15,21-22,25-26H2,1-4H3/t39?,41-,43-,45+/m0/s1
InChIKey: InChIKey=YXIJRGXDHSHPBB-GMJOSTHPSA-N
Formula: C45H46O7
Molecular Weight: 698.844225
Exact Mass: 698.324354
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Sekiguchi, T., Takaoka, S., Asakawa, Y. Chem Pharm Bull (2004) 52, 556-60
Species:
Notes: Family : Aromatics, Type : Stilbenes; 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) | 153.1 |
| 2 (CH) | 120.7 |
| 3 (CH) | 130.1 |
| 4 (C) | 137.1 |
| 5 (CH) | 130.1 |
| 6 (CH) | 120.7 |
| 7 (CH2) | 33.6 |
| 8 (CH2) | 29.5 |
| 9 (C) | 125.8 |
| 10 (C) | 144.7 |
| 11 (C) | 135.5 |
| 12 (C) | 142.4 |
| 13 (CH) | 114.6 |
| 14 (CH) | 123.4 |
| 1' (C) | 138.1 |
| 2' (C) | 150.8 |
| 3' (CH) | 116.7 |
| 4' (C) | 141.5 |
| 5' (CH) | 121.1 |
| 6' (CH) | 122.8 |
| 7' (CH2) | 40.1 |
| 8' (CH2) | 40.6 |
| 9' (C) | 143.9 |
| 10' (CH) | 114.2 |
| 11' (C) | 159 |
| 12' (CH) | 115.4 |
| 13' (CH) | 129.6 |
| 14' (CH) | 121.1 |
| 1'' (CH2) | 41.5 |
| 2'' (CH2) | 18.7 |
| 3'' (CH2) | 42.1 |
| 4'' (C) | 33.1 |
| 5'' (CH) | 48.8 |
| 6'' (CH2) | 21.4 |
| 7'' (C) | 156.5 |
| 8'' (C) | 103.9 |
| 9'' (CH2) | 41.1 |
| 10'' (C) | 34 |
| 11'' (C) | 81 |
| 12'' (C) | 100.3 |
| 13'' (CH3) | 19.5 |
| 14'' (CH3) | 21.6 |
| 15'' (CH3) | 32.7 |
| 1'a (C) | 169.1 |
| 1'b (CH3) | 20.7 |
