Spektraris NMR
8α-(2',3'-Epoxy-2'-methylbutyryloxy)-4α,9α-epidioxy9β-hydroxy-5βH-eudesm-1-en-6β,12-olide
Common Name: 8α-(2',3'-Epoxy-2'-methylbutyryloxy)-4α,9α-epidioxy9β-hydroxy-5βH-eudesm-1-en-6β,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O8/c1-9-11-12(24-15(9)21)13-17(3)7-6-8-18(13,4)27-28-20(17,23)14(11)25-16(22)19(5)10(2)26-19/h6-7,9-14,23H,8H2,1-5H3/t9-,10+,11+,12-,13+,14-,17+,18+,19+,20+/m1/s1
InChIKey: InChIKey=IMPHZOKTPQRSMU-LXQQHIGESA-N
Formula: C20H26O8
Molecular Weight: 394.416417
Exact Mass: 394.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muller, S., Murillo, R., Castro, V., Brecht, V., Merfort, I. J Nat Prod (2004) 67, 622-30
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 131 |
| 2 (CH) | 130.7 |
| 3 (CH2) | 40.1 |
| 4 (C) | 79.2 |
| 5 (CH) | 45.5 |
| 6 (CH) | 77 |
| 7 (CH) | 44.7 |
| 8 (CH) | 71.3 |
| 9 (C) | 101.9 |
| 10 (C) | 38.7 |
| 11 (CH) | 39.3 |
| 12 (C) | 177.1 |
| 13 (CH3) | 9.4 |
| 14 (CH3) | 22.3 |
| 15 (CH3) | 23.2 |
| 8a (C) | 170.9 |
| 8b (C) | 59.8 |
| 8c (CH) | 60.4 |
| 8d (CH3) | 13.9 |
| 8ba (CH3) | 19 |
