4-epi-malacitanolide

4-epi-malacitanolide

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)

Carbon NMR Peaks

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