Spektraris NMR
Hyperibone J
Common Name: Hyperibone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O5/c1-19(2)12-11-16-27(9)23(14-13-20(3)4)18-28(10)25(33)29(17-15-21(5)6)26(34)30(27,24(32)22(7)8)31(28,35)36-29/h12-13,15,22-23,35H,11,14,16-18H2,1-10H3/t23-,27+,28+,29+,30+,31-/m0/s1
InChIKey: InChIKey=SBGHJZAAIGGLGH-SPJBSYPASA-N
Formula: C31H46O5
Molecular Weight: 498.695112
Exact Mass: 498.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y., Shikishima, Y., Nakanishi, Y., Bastow, K., Lee, K.H., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2004) 67, 1870-5
Species:
Notes: Family : Aromatics, Type : Phloroglucinols; 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) | 97.3 |
| 2 (C) | 207 |
| 3 (C) | 71.1 |
| 4 (C) | 107.9 |
| 5 (C) | 51.5 |
| 6 (C) | 209.9 |
| 1' (CH2) | 24 |
| 2' (CH) | 115.9 |
| 3' (C) | 136.1 |
| 4' (CH3) | 25.8 |
| 5' (CH3) | 18.1 |
| 1'' (C) | 47.3 |
| 2'' (CH) | 41.8 |
| 3'' (CH2) | 34.3 |
| 1''' (C) | 217.9 |
| 2''' (CH) | 39.4 |
| 3''' (CH3) | 19.2 |
| 4''' (CH3) | 17.7 |
| 1'''' (CH3) | 16.8 |
| 1''''' (CH2) | 28.6 |
| 2''''' (CH) | 122.1 |
| 3''''' (C) | 133.6 |
| 4''''' (CH3) | 18 |
| 5''''' (CH3) | 25.9 |
| 1'''''' (CH3) | 15.5 |
| 2'''''' (CH2) | 37 |
| 3'''''' (CH2) | 23.8 |
| 4'''''' (CH) | 124.2 |
| 5'''''' (C) | 131.9 |
| 6'''''' (CH3) | 17.9 |
| 7'''''' (CH3) | 25.9 |
