Spektraris NMR
Letestuianin B
Common Name: Letestuianin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-13,22,24-25H,4,8H2,1-2H3/b7-3+,16-13-
InChIKey: InChIKey=BWHPKBOLJFNCPW-YJNULWIISA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kamnaing, P., Tsopmo, A., Tanifum, E.A., Tchuendem, M.H., Tane, P., Ayafor, J.F., Sterner, O., Rattendi, D., Iwu, M.M., Schuster, B., Bacchi, C. J Nat Prod (2003) 66, 364-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Diphenylheptanoids; 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 (CH2) | 30.4 |
| 2 (CH2) | 41.3 |
| 3 (C) | 199.2 |
| 4 (CH) | 100.2 |
| 5 (C) | 177.9 |
| 6 (CH) | 119.7 |
| 7 (CH) | 140.2 |
| 1' (C) | 126.3 |
| 2' (CH) | 111 |
| 3' (C) | 148 |
| 4' (C) | 149.2 |
| 5' (CH) | 115.7 |
| 6' (CH) | 123 |
| 1'' (C) | 131.6 |
| 2'' (CH) | 112.5 |
| 3'' (C) | 147.4 |
| 4'' (C) | 144.7 |
| 5'' (CH) | 115.3 |
| 6'' (CH) | 120.3 |
| 3'a (CH3) | 55.7 |
| 3''a (CH3) | 55.5 |
