Spektraris NMR
8α-(2',3'-Epoxy-2'-methylbutyryloxy)-4α,9α-epidioxy9β-hydroxy-5βH-eudesm-1,11(13)-dien-6β,12-olide
Common Name: 8α-(2',3'-Epoxy-2'-methylbutyryloxy)-4α,9α-epidioxy9β-hydroxy-5βH-eudesm-1,11(13)-dien-6β,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O8/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/h6-7,10-14,23H,1,8H2,2-5H3/t10-,11-,12+,13-,14+,17-,18-,19-,20-/m0/s1
InChIKey: InChIKey=LPXOBZWDHHUJHC-ZLZYUGBGSA-N
Formula: C20H24O8
Molecular Weight: 392.400535
Exact Mass: 392.147118
NMR Solvent: C6D6
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 |
| 2 (CH) | 130.1 |
| 3 (CH2) | 40 |
| 4 (C) | 79 |
| 5 (CH) | 45.7 |
| 6 (CH) | 75.4 |
| 7 (CH) | 45.2 |
| 8 (CH) | 78.1 |
| 9 (C) | 101.7 |
| 10 (C) | 38.6 |
| 11 (C) | 139.4 |
| 12 (C) | 168.1 |
| 13 (CH2) | 123.3 |
| 14 (CH3) | 22 |
| 15 (CH3) | 22.9 |
| 8a (C) | 171.5 |
| 8b (C) | 59.6 |
| 8c (CH) | 59.9 |
| 8d (CH3) | 14.1 |
| 8ba (CH3) | 19.1 |
