Spektraris NMR
isoazadironolide
Common Name: isoazadironolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-15(29)33-22-14-20-25(2,3)21(30)10-12-27(20,5)19-9-11-26(4)17(7-8-18(26)28(19,22)6)16-13-23(31)34-24(16)32/h8,10,12-13,17,19-20,22,24,32H,7,9,11,14H2,1-6H3/t17-,19+,20-,22+,24+,26-,27+,28-/m0/s1
InChIKey: InChIKey=GFVCOFUDIRKTHA-VRVDQBCCSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 158.22 |
| 2 (CH) | 125.47 |
| 3 (C) | 204.95 |
| 4 (C) | 44.09 |
| 5 (CH) | 46.01 |
| 6 (CH2) | 23.68 |
| 7 (CH) | 74.46 |
| 8 (C) | 42.92 |
| 9 (CH) | 38.42 |
| 10 (C) | 39.82 |
| 11 (CH2) | 16.42 |
| 12 (CH2) | 33.34 |
| 13 (C) | 47.39 |
| 14 (C) | 158.18 |
| 15 (CH) | 118.93 |
| 16 (CH2) | 33.27 |
| 17 (CH) | 52.77 |
| 18 (CH3) | 21.34 |
| 19 (CH3) | 18.98 |
| 20 (C) | 169.36 |
| 21 (CH) | 98.95 |
| 22 (CH) | 119.09 |
| 23 (C) | 171.45 |
| 28 (CH3) | 26.98 |
| 29 (CH3) | 21.22 |
| 30 (CH3) | 27.27 |
| 7a (C) | 170.13 |
| 7b (CH3) | 21.1 |
