Spektraris NMR
9α-Acetyloxy-8β-(2-methylbutanoyloxy)-14-oxo-(4Z)-acanthospermolide
Common Name: 9α-Acetyloxy-8β-(2-methylbutanoyloxy)-14-oxo-(4Z)-acanthospermolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,11-12,17-20,23H,3,5-7,10H2,1-2,4H3/b15-9+,16-8-/t12?,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=YRUNQVZUGKDPML-KMXSEIKJSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cartagena, E., Bardon, A., Catalan, C.A., de Hernandez, Z.N., Hernandez, L.R., Joseph-Nathan, P. J Nat Prod (2000) 63, 1323-8
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) | 158.9 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 27.3 |
| 4 (C) | 139.3 |
| 5 (CH) | 127 |
| 6 (CH) | 73.5 |
| 7 (CH) | 46.4 |
| 8 (CH) | 72.2 |
| 9 (CH) | 69.6 |
| 10 (C) | 140.3 |
| 11 (C) | 133.4 |
| 12 (C) | 169 |
| 13 (CH2) | 126.2 |
| 14 (CH) | 193.3 |
| 15 (CH2) | 65.8 |
| 8a (C) | 175 |
| 8b (CH) | 41.3 |
| 8c (CH2) | 26.5 |
| 8d (CH3) | 11.6 |
| 8ba (CH3) | 17.1 |
| 9a (C) | 170.4 |
| 9b (CH3) | 20.7 |
