Spektraris NMR
Mycaperoxide F methyl ester
Common Name: Mycaperoxide F methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H44O5/c1-17-9-16-25(27)22(3,4)12-8-13-24(25,6)19(17)10-14-23(5)15-11-20(29-30-23)18(2)21(26)28-7/h17-20,27H,8-16H2,1-7H3/t17?,18-,19?,20-,23+,24+,25+/m0/s1
InChIKey: InChIKey=WCYWWYZSPHIFJY-QQRZVXJLSA-N
Formula: C25H44O5
Molecular Weight: 424.614815
Exact Mass: 424.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Capon, R.J., Rochfort, S.J., Ovenden, S.P.B., Metzger, R.P. J Nat Prod (1998) 61, 525-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 34 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 27.2 |
| 4 (C) | 37.9 |
| 5 (C) | 77.2 |
| 6 (CH2) | 27.2 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 36.1 |
| 9 (CH) | 41.5 |
| 10 (C) | 39.2 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 38.1 |
| 13 (C) | 81.1 |
| 14 (CH2) | 32.1 |
| 15 (CH2) | 22.4 |
| 16 (CH) | 81.7 |
| 17 (CH) | 42.6 |
| 18 (C) | 174.5 |
| 20 (CH3) | 12.8 |
| 21 (CH3) | 20.4 |
| 22 (CH3) | 27.2 |
| 23 (CH3) | 24.7 |
| 24 (CH3) | 22 |
| 25 (CH3) | 15.7 |
| 18a (CH3) | 51.7 |
