[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]methyl acetate

m 171

Formula: C16H20Cl3NO10

Canonical Smiles: CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C(Cl)(Cl)Cl

Inchi: InChI=1S/C16H20Cl3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11-,12-,13-,14?/m1/s1

Inchikey: SEEYXQVYXYGHNF-GNMOMJPPSA-N

Mass: 491.02

Crosslinks: Pubchem

Publication (over 3 years ago)

Authors:

Benjamin Goerling

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N.1

Characterization

Thumb 1d13c dept135

DEPT/135

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N/DEPT/135

Thumb 1d13c dept90

DEPT/90

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N/DEPT/90


Publication (over 3 years ago)

Authors:

Benjamin Goerling

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N

Characterization

Thumb 1d1h

NMR/1H/CDCl3/400

6.90 (d, 1H, 3J = 9.4 Hz, NH), 5.80 (d, 1H, 3J = 8.8 Hz, 1-H), 5.30 (dd, 1H, 3J = 10.7 Hz, 3J = 9.4 Hz, 3-H), 5.19 (t, 1H, 3J = 9.6 Hz, 4-H), 4.33–4.24 (m, 2H, 6a-H & 2-H), 4.15 (dd, 1H, 2J = 12.5 Hz, 3J = 2.2 Hz, 6a-H), 3.86 (ddd, 1H, 3J = 9.8 Hz, 3J = 4.7 Hz, 3J = 2.2 Hz, 5-H), 2.12 (s, 3H, CH3CO), 2.11 (s, 3H, CH3CO), 2.07 (s, 3H, CH3CO), 2.06 (s, 3H, CH3CO) 

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N/NMR/1H/CDCl3/400

8jptgcp%2b4z2y%3d&expires=1490286213

NMR/13C/CDCl3/100

171.2 (Cquart,  CO), 170.6 (Cquart,  CO),  169.3 (Cquart,  CO), 169.2 (Cquart,  CO), 162.2 (Cquart,  CTCAO), 92.1 (+, CH), 92.0 (Cquart,  CCl3), 73.3 (+,  CH), 71.7 (+, CH), 67.5 (+, CH), 61.5 (–, CH2, C-6), 54.8 (+,  CH), 20.7 (+, 2 ×  CH3CO), 20.6 (+,  CH3
CO), 20.6 (+,  CH3CO) 

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N/NMR/13C/CDCl3/100

933qemdzaoywtw6oi%3d&expires=1490286213

IR

3349 (vw), 2939 (vw), 1753 (m), 1538 (w), 1210 (m), 1033 (m)

DOI: 10.14272/SEEYXQVYXYGHNF-GNMOMJPPSA-N/IR


Back