Spektraris NMR
Myrocin A
Common Name: Myrocin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-4-17(2)8-11-13(22)14(23)15-18(3,16(24)25)6-5-10-7-19(10,15)20(11,26)12(21)9-17/h4,8,10,23,26H,1,5-7,9H2,2-3H3,(H,24,25)/t10-,17+,18-,19-,20-/m1/s1
InChIKey: InChIKey=XKJPVKHJPNQLKG-KPHJKFSFSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Klemke, C., Kehraus, S., Wright, A.D., Konig, G.M. J Nat Prod (2004) 67, 1058-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 17.3 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 30.2 |
| 4 (C) | 45.7 |
| 5 (C) | 133.9 |
| 6 (C) | 145.7 |
| 7 (C) | 183.5 |
| 8 (C) | 137.8 |
| 9 (C) | 77.1 |
| 10 (C) | 30.7 |
| 11 (C) | 209.2 |
| 12 (CH2) | 54.1 |
| 13 (C) | 43.5 |
| 14 (CH) | 144.6 |
| 15 (CH) | 142.8 |
| 16 (CH2) | 115.3 |
| 17 (CH3) | 27.7 |
| 18 (CH3) | 20.1 |
| 19 (C) | 180.6 |
| 20 (CH2) | 12.4 |
