Spektraris NMR
9a-Acetoxycumambrin A (Conformation B at -51 C)
Common Name: 9a-Acetoxycumambrin A (Conformation B at -51 C)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O7/c1-8-6-7-12-13(8)15-14(9(2)18(22)26-15)16(24-10(3)20)17(19(12,5)23)25-11(4)21/h6,12-17,23H,2,7H2,1,3-5H3/t12-,13+,14+,15-,16+,17-,19+/m1/s1
InChIKey: InChIKey=ZYEPXKNEJAIFAP-WHMAEPELSA-N
Formula: C19H24O7
Molecular Weight: 364.390395
Exact Mass: 364.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vajs, V., Todorovic, N., Bulatovic, V.B., Menkovic, N., Macura, S., Juranic, N., Milosavljevic, S. Phytochemistry (2000) 54, 625-33
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 (CH) | 54.1 |
| 2 (CH2) | 33.7 |
| 3 (CH) | 125.6 |
| 4 (C) | 142.9 |
| 5 (CH) | 54.1 |
| 6 (CH) | 80 |
| 7 (CH) | 46.2 |
| 8 (CH) | 71.9 |
| 9 (CH) | 70.4 |
| 10 (C) | 76.6 |
| 11 (C) | 137.1 |
| 12 (C) | 169.7 |
| 13 (CH2) | 121.9 |
| 14 (CH3) | 27.9 |
| 15 (CH3) | 18.3 |
| 8a (C) | 169.5 |
| 8b (CH3) | 19.3 |
| 9a (C) | 169.5 |
| 9b (CH3) | 19.3 |
