(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol

m 184

Formula: C15H22O5S

Canonical Smiles: CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O

Inchi: InChI=1S/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1

Inchikey: QZYDYKUQPIMRSF-ZSAUSMIDSA-N

Mass: 314.12

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/QZYDYKUQPIMRSF-ZSAUSMIDSA-N.1

Characterization

Thumb 1d13c dept90

DEPT/90

DOI: 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/DEPT/90

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DEPT/135

DOI: 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/DEPT/135


Publication (over 3 years ago)

Authors:

Benjamin Goerling

Affiliation:

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

DOI: 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N

Characterization

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NMR/1H/CDCl3/400

7.42  –  7.34 (m, 5H, Ph), 5.03 (d, 1H, 2J = 11.6 Hz, CHaHbPh), 4.76 (d, 1H, 2J = 11.6 Hz, CHaHbPh), 4.37 (d, 1H, 3J = 9.4 Hz, 1-H), 3.89 (dd, 1H, 2J = 12.0 Hz, 3J = 3.5 Hz, 6a-H), 3.76  (dd, 1H, 2J = 12.0 Hz, 3J = 5.2 Hz, 6a-H), 3.51 (dd, 1H, 3J = 9.4 Hz, 3J = 9.0 Hz, 4-H), 3.44 (dd, 1H, 3J = 9.5 Hz, 3J = 8.5 Hz, 2-H), 3.35 (t, 1H, 3J = 8.6 Hz, 3-H), 3.35– 3.30 (m, 1H, 5-H), 2.78 – 2.65 (m, 2H, CH2CH3), 1.94 (sbr, 3H, OH), 1.32 (t, 3H, 3J = 7.4 Hz, CH2CH3)

DOI: 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/1H/CDCl3/400

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NMR/13C/CDCl3/100

138.4 (Cquart, Carom), 128.7 (+, 2 × CaromH), 128.1 (+, CaromH), 128.1 (+, 2 × CaromH), 86.7 (+, CH), 85.0 (+, CH), 79.4 (+,  CH), 74.8 (–,  CH2Ph), 73.2 (+,  CH), 70.2 (+,  CH), 62.8 (–, CH2, C-6), 24.6 (–,  CH2CH3), 15.4 (+, CH2CH3)

DOI: 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/13C/CDCl3/100

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IR

3417 (s), 3063 (m), 3031 (m), 2919 (s), 1735 (w), 1454 (s), 1034 (s)

DOI: 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/IR


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