Spektraris NMR
9a-hydroxy-8b-methacryloyloxy-14-oxo-acanthospermolide
Common Name: 9a-hydroxy-8b-methacryloyloxy-14-oxo-acanthospermolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O6/c1-4-6-15(21)25-18-16-12(3)19(23)24-14(16)9-11(2)7-5-8-13(10-20)17(18)22/h4,6,8-10,14,16-18,22H,3,5,7H2,1-2H3/b6-4+,11-9+,13-8-/t14-,16+,17-,18+/m1/s1
InChIKey: InChIKey=NSLIDRVAUAHVHB-ZAEMWVEFSA-N
Formula: C19H22O6
Molecular Weight: 346.375108
Exact Mass: 346.141638
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) | 155.2 |
| 2 (CH2) | 26.5 |
| 3 (CH2) | 36.9 |
| 4 (C) | 137.4 |
| 5 (CH) | 126.7 |
| 6 (CH) | 75.1 |
| 7 (CH) | 51.4 |
| 8 (CH) | 72 |
| 9 (CH) | 70.7 |
| 10 (C) | 144.4 |
| 11 (C) | 134.2 |
| 12 (C) | 169 |
| 13 (CH2) | 121.5 |
| 14 (CH) | 195 |
| 15 (CH3) | 17 |
| 8a (C) | 166.9 |
| 8b (CH) | 135.3 |
| 8c (CH) | 126.7 |
| 8d (CH3) | 18.5 |
