1-Methyl-1-[(1R)-3-oxo-4-methyl-4beta-(4-oxopentyl)cyclohexan-1beta-yl]ethyl 2-O-acetyl-beta-D-fucopyranoside

1-Methyl-1-[(1R)-3-oxo-4-methyl-4beta-(4-oxopentyl)cyclohexan-1beta-yl]ethyl 2-O-acetyl-beta-D-fucopyranoside

Common Name: 1-Methyl-1-[(1R)-3-oxo-4-methyl-4beta-(4-oxopentyl)cyclohexan-1beta-yl]ethyl 2-O-acetyl-beta-D-fucopyranoside

Synonyms: 1-Methyl-1-[(1R)-3-oxo-4-methyl-4beta-(4-oxopentyl)cyclohexan-1beta-yl]ethyl 2-O-acetyl-beta-D-fucopyranoside

CAS Registry Number:

InChI: InChI=1S/C23H38O8/c1-13(24)8-7-10-23(6)11-9-16(12-17(23)26)22(4,5)31-21-20(30-15(3)25)19(28)18(27)14(2)29-21/h14,16,18-21,27-28H,7-12H2,1-6H3/t14-,16-,18+,19+,20-,21+,23+/m1/s1

InChIKey: InChIKey=SOAOBNOFEDCAOU-WGQQLVQJSA-N

Formula: C23H38O8

Molecular Weight: 442.543914

Exact Mass: 442.256668

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Barrero, A.F., Arteaga, P., Quilez, J.F., Rodriguez, I., Herrador, M.M. J Nat Prod (1997) 60, 1026-30

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 (CH2) 18.6
2 (CH2) 36.8
3 (CH2) 43.6
4 (C) 208
5 (C) 214.8
6 (CH2) 39.8
7 (CH) 50.4
8 (CH2) 21.9
9 (CH2) 39.2
10 (C) 48.3
11 (C) 78.6
12 (CH3) 23.1
13 (CH3) 22
14 (CH3) 25.4
15 (CH3) 29.8
1' (CH) 96
2' (CH) 73.4
3' (CH) 72.6
4' (CH) 73
5' (CH) 70.8
6' (CH3) 16.9
2'a (C) 170.2
2'b (CH3) 21.2