Spektraris NMR
5αH-2β,4-Epoxy-3β-(2-methylbutyryloxy)guaia-1(10)11(13)-dien-6β,12-olide (3β-O-(2-methylbutyryl)moroccolide A
Common Name: 5αH-2β,4-Epoxy-3β-(2-methylbutyryloxy)guaia-1(10)11(13)-dien-6β,12-olide (3β-O-(2-methylbutyryl)moroccolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-6-9(2)18(21)24-17-16-13-10(3)7-8-12-11(4)19(22)23-15(12)14(13)20(17,5)25-16/h9,12,14-17H,4,6-8H2,1-3,5H3/t9?,12-,14-,15+,16-,17-,20-/m0/s1
InChIKey: InChIKey=FPLUWNGZVAMKNR-ZJRJQCDXSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hilmi, F., Sticher, O., Heilmann, J. J Nat Prod (2002) 65, 523-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 133.7 |
| 2 (CH) | 65.6 |
| 3 (CH) | 76 |
| 4 (C) | 65.5 |
| 5 (CH) | 53.1 |
| 6 (CH) | 82.8 |
| 7 (CH) | 55 |
| 8 (CH2) | 26 |
| 9 (CH2) | 35.7 |
| 10 (C) | 143.3 |
| 11 (C) | 141 |
| 12 (C) | 171.2 |
| 13 (CH2) | 118.5 |
| 14 (CH3) | 22.7 |
| 15 (CH3) | 19.7 |
| 3a (C) | 178.1 |
| 3b (CH) | 42.8 |
| 3c (CH2) | 27.8 |
| 3d (CH3) | 12 |
| 3ba (CH3) | 17.3 |
