Common Name: 4-epi-malacitanolide
Synonyms: 4-epi-malacitanolide
CAS Registry Number:
InChI: InChI=1S/C20H26O8/c1-9(12(23)8-22)18(25)27-13-6-20(3)14(24)5-4-11(7-21)16(20)17-15(13)10(2)19(26)28-17/h7,11-17,22-24H,1-2,4-6,8H2,3H3/t11-,12-,13-,14+,15+,16+,17-,20-/m0/s1
InChIKey: InChIKey=OZJAAHIGUMFSHY-SQFWDQPPSA-N
Formula: C20H26O8
Molecular Weight: 394.416417
Exact Mass: 394.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Saroglou, V., Karioti, A., Demetzos, C., Dimas, K., Skaltsa, H. J Nat Prod (2005) 68, 1404-7
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)
Position | PPM |
---|---|
1 (CH) | 76.9 |
2 (CH2) | 24.6 |
3 (CH2) | 23.1 |
4 (CH) | 47.8 |
5 (CH) | 48.1 |
6 (CH) | 78.8 |
7 (CH) | 55.3 |
8 (CH) | 69.5 |
9 (CH2) | 43.5 |
10 (C) | 41.9 |
11 (C) | 136.6 |
12 (C) | 170.2 |
13 (CH2) | 120.2 |
14 (CH3) | 12.8 |
15 (CH) | 202.2 |
8a (C) | 166.5 |
8b (C) | 72.4 |
8c (CH) | 71.5 |
8d (CH2) | 65.9 |
8e (CH2) | 127.6 |