Spektraris NMR
Mycaperoxide G methyl ester
Common Name: Mycaperoxide G methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O4/c1-17-9-10-21-23(3,4)13-8-14-25(21,6)19(17)11-15-24(5)16-12-20(28-29-24)18(2)22(26)27-7/h18,20-21H,8-16H2,1-7H3/t18-,20-,21+,24+,25-/m0/s1
InChIKey: InChIKey=DRRIVVROELVVDJ-LUWWFQEOSA-N
Formula: C25H42O4
Molecular Weight: 406.599529
Exact Mass: 406.30831
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) | 36.9 |
| 2 (CH2) | 19 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.6 |
| 8 (C) | 126 |
| 9 (C) | 139.7 |
| 10 (C) | 39.1 |
| 11 (CH2) | 53.4 |
| 12 (CH2) | 40.4 |
| 13 (C) | 80.4 |
| 14 (CH2) | 32.2 |
| 15 (CH2) | 22.8 |
| 16 (CH) | 81.7 |
| 17 (CH) | 42.7 |
| 18 (C) | 174.5 |
| 20 (CH3) | 12.8 |
| 21 (CH3) | 20.1 |
| 22 (CH3) | 19.4 |
| 23 (CH3) | 33 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 21.1 |
| 18a (CH3) | 51.9 |
