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

m 182

Formula: C21H26O10

Canonical Smiles: CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OCc1ccccc1)OC(=O)C

Inchi: InChI=1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(27-10-16-8-6-5-7-9-16)20(29-14(3)24)21(31-17)30-15(4)25/h5-9,17-21H,10-11H2,1-4H3/t17-,18-,19+,20-,21?/m1/s1

Inchikey: SJPSXDYBIIGRQJ-AWGDKMGJSA-N

Mass: 438.15

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/SJPSXDYBIIGRQJ-AWGDKMGJSA-N.1

Characterization

Thumb 1d13c dept90

DEPT/90

DOI: 10.14272/SJPSXDYBIIGRQJ-AWGDKMGJSA-N/DEPT/90

Thumb 1d13c dept135

DEPT/135

DOI: 10.14272/SJPSXDYBIIGRQJ-AWGDKMGJSA-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/SJPSXDYBIIGRQJ-AWGDKMGJSA-N

Characterization

Thumb 1d1h

NMR/1H/CDCl3/300

7.36 – 7.22 (m, 5H, Ph), 5.65 (d, 1H, 3J = 8.2 Hz, 1-H), 5.19 – 5.14 (m, 2H, 2-H + 4-H), 4.62 (s, 2H, CH2Ph), 4.23 (dd, 1H, 2J = 12.5 Hz, 3J = 4.9 Hz, 6a-H), 4.10 (dd, 1H, 2J = 12.4 Hz, 3J = 2.3 Hz, 6b-H), 3.79 – 3.71 (m, 2H, 3-H + 5-H), 2.11 (s, 3H, CH3CO), 2.08 (s, 3H, CH3CO), 2.00  –  1.97 (m, 6H, 2x CH3CO)

DOI: 10.14272/SJPSXDYBIIGRQJ-AWGDKMGJSA-N/NMR/1H/CDCl3/300

Thumb 1d13c

NMR/13C/CDCl3/100

170.8, 169.3, 169.3, 169.1, 137.6, 128.5, 128.0, 127.8, 92.0, 80.0, 74.2, 73.0, 71.5, 69.0, 61.8, 20.9, 20.8, 20.8, 20.7

DOI: 10.14272/SJPSXDYBIIGRQJ-AWGDKMGJSA-N/NMR/13C/CDCl3/100


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