Spektraris NMR
Hyperibone L-a
Common Name: Hyperibone L-a
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O4/c1-18(2)13-14-21-17-29(16-15-19(3)4)25(32)22(23(30)20-11-9-8-10-12-20)24(31)28(7,26(29)33)27(21,5)6/h8-13,15,21,31H,14,16-17H2,1-7H3/t21-,28+,29-/m0/s1
InChIKey: InChIKey=MMEANSUBRJPUHP-WSZKRTDOSA-N
Formula: C29H36O4
Molecular Weight: 448.594828
Exact Mass: 448.26136
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 : 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) | 114.8 |
| 2 (C) | 197.8 |
| 3 (C) | 62 |
| 4 (C) | 209.2 |
| 5 (C) | 62.7 |
| 6 (C) | 194.4 |
| 1' (C) | 137 |
| 2' (CH) | 129 |
| 3' (CH) | 128 |
| 4' (CH) | 132.8 |
| 5' (CH) | 128 |
| 6' (CH) | 129 |
| 7' (C) | 197 |
| 1'' (C) | 48.5 |
| 2'' (CH) | 46.5 |
| 3'' (CH2) | 40.4 |
| 4'' (CH3) | 23.1 |
| 5'' (CH3) | 27.2 |
| 1''' (CH3) | 12.9 |
| 1'''' (CH2) | 31.6 |
| 2'''' (CH) | 119.9 |
| 3'''' (C) | 134.9 |
| 4'''' (CH3) | 18.3 |
| 5'''' (CH3) | 26.2 |
| 1''''' (CH2) | 29.2 |
| 2''''' (CH) | 123.8 |
| 3''''' (C) | 133 |
| 4''''' (CH3) | 17.9 |
| 5''''' (CH3) | 25.9 |
