Spektraris NMR
2A-Acetoxy-15-isovaleryl-miguanin
Common Name: 2A-Acetoxy-15-isovaleryl-miguanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12(2)5-21(26)28-11-15-6-17(29-14(4)24)8-16(10-23)19(25)9-18-13(3)22(27)30-20(18)7-15/h7-8,12,17-18,20,23H,3,5-6,9-11H2,1-2,4H3/b15-7-,16-8-/t17-,18-,20+/m0/s1
InChIKey: InChIKey=PKRVXIIZNSTWTA-JLSYYUQOSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rungeler P., Brecht V., Tamayo-Castillo G., Merfort I. Phytochemistry (2001) 56, 475-89
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) | 134.6 |
| 2 (CH) | 70.1 |
| 3 (CH2) | 41.1 |
| 4 (C) | 139.4 |
| 5 (CH) | 133.1 |
| 6 (CH) | 78.6 |
| 7 (CH) | 48.3 |
| 8 (CH2) | 40.5 |
| 9 (C) | 203 |
| 10 (C) | 146.5 |
| 11 (C) | 137.1 |
| 12 (C) | 168.5 |
| 13 (CH2) | 120.8 |
| 14 (CH2) | 59.1 |
| 15 (CH2) | 61.8 |
| 2a (C) | 170.4 |
| 2b (CH3) | 20.9 |
| 15a (C) | 172.5 |
| 15b (CH2) | 43.1 |
| 15c (CH) | 25.6 |
| 15d (CH3) | 22.4 |
| 15e (CH3) | 22.3 |
