Spektraris NMR
9a-Acetoxy-4b,15-epoxymiller-1(10)Z-enolide
Common Name: 9a-Acetoxy-4b,15-epoxymiller-1(10)Z-enolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O9/c1-4-6-14(24)29-17-15-11(2)20(26)30-18(15)19(25)21(10-27-21)8-5-7-13(9-22)16(17)28-12(3)23/h4,6-7,9,15-19,25H,2,5,8,10H2,1,3H3/b6-4+,13-7-/t15-,16-,17+,18+,19+,21-/m1/s1
InChIKey: InChIKey=LUTDWOUNALJMOZ-YNDLHJJCSA-N
Formula: C21H24O9
Molecular Weight: 420.410676
Exact Mass: 420.142032
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castro, V., Rungeler, P., Murillo, R., Hernandez, E., Mora, G., Pahl, H.L., Merfort, I. Phytochemistry (2000) 53, 257-63
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 158.1 |
| 2 (CH2) | 27.2 |
| 3 (CH2) | 29 |
| 4 (C) | 57.3 |
| 5 (CH) | 77.3 |
| 6 (CH) | 78.1 |
| 7 (CH) | 40.4 |
| 8 (CH) | 74.5 |
| 9 (CH) | 69 |
| 10 (C) | 135.3 |
| 11 (C) | 133.4 |
| 12 (C) | 168.6 |
| 13 (CH2) | 126.6 |
| 14 (CH) | 192 |
| 15 (CH2) | 54.3 |
| 8a (C) | 165.4 |
| 8b (CH) | 134.8 |
| 8c (CH) | 126.6 |
| 8d (CH3) | 18.3 |
| 9a (C) | 170.3 |
| 9b (CH3) | 20.8 |
