Spektraris NMR
Arenolide
Common Name: Arenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11+/t20?,21-,22?,23+,24+/m1/s1
InChIKey: InChIKey=ZDRUEHAANPCQTG-NARSDYRHSA-N
Formula: C25H42O6
Molecular Weight: 438.598339
Exact Mass: 438.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Q., Faulkner, D.J. J Nat Prod (1998) 61, 1096-100
Species:
Notes: Family : Miscellanea, Type : Macrolides; 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) | 172.5 |
| 2 (CH2) | 34.3 |
| 3 (CH2) | 21.5 |
| 4 (CH2) | 36.5 |
| 5 (CH) | 68.1 |
| 6 (CH) | 129.4 |
| 7 (C) | 135.7 |
| 8 (CH2) | 44.6 |
| 9 (CH) | 68.7 |
| 10 (CH2) | 43.6 |
| 11 (C) | 142.5 |
| 12 (CH2) | 38.4 |
| 13 (CH) | 71.4 |
| 14 (CH2) | 39.5 |
| 15 (C) | 145.1 |
| 16 (CH2) | 35.6 |
| 17 (CH2) | 23.7 |
| 18 (CH2) | 36.9 |
| 19 (CH) | 69.1 |
| 20 (CH2) | 44.2 |
| 21 (CH) | 65.5 |
| 22 (CH3) | 23.6 |
| 23 (CH3) | 20.1 |
| 24 (CH2) | 117.9 |
| 25 (CH2) | 112.6 |
