Spektraris NMR
adenostin A
Common Name: adenostin A
Synonyms: adenostin A
CAS Registry Number:
InChI: InChI=1S/C30H34O4/c1-14-8-6-10-19-23(14)18(5)26-17(4)22(34-30(26)28(19)32)12-21-24-15(2)9-7-11-20(24)27(31)29-25(21)16(3)13-33-29/h13-15,31-32H,6-12H2,1-5H3/t14-,15-/m0/s1
InChIKey: InChIKey=YAJPEVBXCVNKQK-GJZGRUSLSA-N
Formula: C30H34O4
Molecular Weight: 458.589682
Exact Mass: 458.24571
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Sun, X.B., Xu, Y.J., Qiu, D.F., Yuan, C.S. Helv Chim Acta (2007) 90, 1705-11
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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) | 23.4 |
| 2 (CH2) | 16.98 |
| 3 (CH2) | 30.37 |
| 4 (CH) | 28.99 |
| 5 (C) | 136.9 |
| 6 (C) | 118.61 |
| 7 (C) | 127.8 |
| 8 (C) | 143.24 |
| 9 (C) | 135.07 |
| 10 (C) | 119.37 |
| 11 (C) | 110.76 |
| 12 (C) | 151.5 |
| 13 (CH3) | 10.77 |
| 14 (CH3) | 13.35 |
| 15 (CH3) | 21.52 |
| 1' (CH2) | 22.87 |
| 2' (CH2) | 16.58 |
| 3' (CH2) | 29.85 |
| 4' (CH) | 28.77 |
| 5' (C) | 136.72 |
| 6' (C) | 118.29 |
| 7' (C) | 127.45 |
| 8' (C) | 141.39 |
| 9' (C) | 138.54 |
| 10' (C) | 119.37 |
| 11' (C) | 116.96 |
| 12' (CH) | 141.62 |
| 13' (CH3) | 10.2 |
| 14' (CH2) | 25.38 |
| 15' (CH3) | 21.2 |
