Spektraris NMR
2-Isoprenylforbesione
Common Name: 2-Isoprenylforbesione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O6/c1-17(2)9-11-21-26(34)22(12-10-18(3)4)29-25(27(21)35)28(36)23-15-20-16-24-31(7,8)39-32(30(20)37,14-13-19(5)6)33(23,24)38-29/h9-10,13,15,20,24,34-35H,11-12,14,16H2,1-8H3/t20-,24?,32-,33+/m1/s1
InChIKey: InChIKey=RSEDLTQQPIAJFA-LQCMGOQQSA-N
Formula: C33H40O6
Molecular Weight: 532.668344
Exact Mass: 532.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reutrakul, V., Anantachoke, N., Pohmakotr, M., Jaipetch, T., Sophasan, S., Yoosook, C., Kasisit, J., Napaswat, C., Santisuk, T., Tuchinda, P. Planta Med (2007) 73, 33-40
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) | 162.9 |
| 2 (C) | 107.32 |
| 3 (C) | 160.2 |
| 4 (C) | 106.12 |
| 4a (C) | 156.23 |
| 5 (C) | 84.49 |
| 6 (C) | 203.54 |
| 7 (CH) | 46.91 |
| 8 (CH) | 133.78 |
| 8a (C) | 133.78 |
| 9 (C) | 179.67 |
| 9a (C) | 100.74 |
| 10a (C) | 90.24 |
| 1' (CH2) | 22.11 |
| 2' (CH) | 121.52 |
| 3' (C) | 135.11 |
| 4' (CH3) | 17.88 |
| 5' (CH3) | 25.73 |
| 1'' (CH2) | 21.19 |
| 2'' (CH) | 121.75 |
| 3'' (C) | 134.31 |
| 4'' (CH3) | 18.02 |
| 5'' (CH3) | 25.79 |
| 1''' (CH2) | 28.81 |
| 2''' (CH) | 117.75 |
| 3''' (C) | 134.94 |
| 4''' (CH3) | 16.7 |
| 5''' (CH3) | 25.49 |
| 1'''' (CH2) | 25.43 |
| 2'''' (CH) | 49.07 |
| 3'''' (C) | 83.11 |
| 4'''' (CH3) | 29.03 |
| 5'''' (CH3) | 30.05 |
