Spektraris NMR
Astakolactin
Common Name: Astakolactin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-19(7-4-8-20(2)10-6-12-23-15-16-28-17-23)9-5-11-22-13-14-24(26)21(3)25(27)29-18-22/h7,10-11,15-17,21,24,26H,4-6,8-9,12-14,18H2,1-3H3/b19-7+,20-10+,22-11-/t21-,24-/m1/s1
InChIKey: InChIKey=VRWCUJQWBMHNBO-YTWNOHFSSA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsoukatou, M., Siapi, H., Vagias, C., Roussis, V. J Nat Prod (2003) 66, 444-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 142.5 |
| 2 (CH) | 111.1 |
| 3 (C) | 124.8 |
| 4 (CH) | 138.8 |
| 5 (CH2) | 25.04 |
| 6 (CH2) | 32.4 |
| 7 (CH) | 123.8 |
| 8 (C) | 135.7 |
| 9 (CH3) | 16 |
| 10 (CH2) | 39.6 |
| 11 (CH2) | 26.5 |
| 12 (CH) | 124.8 |
| 13 (C) | 134.2 |
| 14 (CH3) | 15.9 |
| 15 (CH2) | 39.6 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 125.6 |
| 18 (C) | 131.9 |
| 19 (CH2) | 28.4 |
| 20 (CH2) | 29.1 |
| 21 (CH) | 78 |
| 22 (CH) | 43.8 |
| 23 (CH3) | 12.1 |
| 24 (C) | 175 |
| 25 (CH2) | 67.3 |
