(Z, 2S, 3R, 4aR, 6S, 7R, 8aR)-2-Ethyl-6-(5’-trimethylsilanyl-pent-2’-en-4’-ynyl)-octahydropyrano[3,2-b]pyran-3,7-diol

(Z, 2S, 3R, 4aR, 6S, 7R, 8aR)-2-Ethyl-6-(5’-trimethylsilanyl-pent-2’-en-4’-ynyl)-octahydropyrano[3,2-b]pyran-3,7-diol

Common Name: (Z, 2S, 3R, 4aR, 6S, 7R, 8aR)-2-Ethyl-6-(5’-trimethylsilanyl-pent-2’-en-4’-ynyl)-octahydropyrano[3,2-b]pyran-3,7-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C18H30O4Si/c1-5-15-13(19)11-18-17(21-15)12-14(20)16(22-18)9-7-6-8-10-23(2,3)4/h6-7,13-20H,5,9,11-12H2,1-4H3/b7-6-/t13-,14-,15+,16+,17-,18-/m1/s1

InChIKey: InChIKey=MFTKCHBAJVMRGH-DTYPIXBFSA-N

Formula: C18H30O4S1

Molecular Weight: 342.495173

Exact Mass: 342.18648

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sheldrake, H.M., Jamieson, C., Burton, J.W. Angew Chem Int Ed (2006) 45, 7199-202

Species:

Notes: Family : Polyketides, Type : Acetogenins; 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 (C) 102.7
2 (C) 99.9
3 (CH) 111.7
4 (CH) 141.4
5 (CH2) 32.7
6 (CH) 81.1
7 (CH) 64.9
8 (CH2) 38.3
9 (CH) 74.2
10 (CH) 73.9
11 (CH2) 37
12 (CH) 66.1
13 (CH) 82.9
14 (CH2) 24.8
15 (CH3) 9.6
1' (CH3) 0.3
2' (CH3) 0.3
3' (CH3) 0.3