Spektraris NMR
9a-Acetyloxy-14-hydroxy-8b-(2-methylbutanoyloxy)-acanthospermolide
Common Name: 9a-Acetyloxy-14-hydroxy-8b-(2-methylbutanoyloxy)-acanthospermolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-6-13(3)21(25)29-20-18-14(4)22(26)28-17(18)10-12(2)8-7-9-16(11-23)19(20)27-15(5)24/h9-10,13,17-20,23H,4,6-8,11H2,1-3,5H3/b12-10+,16-9-/t13?,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=CIWBNFCTQXHDPI-WZUZLRATSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
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) | 134.3 |
| 2 (CH2) | 26.5 |
| 3 (CH2) | 37.7 |
| 4 (C) | 139.1 |
| 5 (CH) | 125.9 |
| 6 (CH) | 72.8 |
| 7 (CH) | 50.8 |
| 8 (CH) | 68.9 |
| 9 (CH) | 75.6 |
| 10 (C) | 136.2 |
| 11 (C) | 134.8 |
| 12 (C) | 164.6 |
| 13 (CH2) | 121.1 |
| 14 (CH2) | 64 |
| 15 (CH3) | 16.7 |
| 8a (C) | 175.4 |
| 8b (CH) | 41.4 |
| 8c (CH2) | 25.4 |
| 8d (CH3) | 11.7 |
| 8ba (CH3) | 16.7 |
| 9a (C) | 170.5 |
| 9b (CH3) | 20.8 |
