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Neohesperidose heptaacetate , CAS No.19949-47-4
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Basic Description
Synonyms | 1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose | beta-D-Glucopyranose, 2-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-, 1,3,4,6-tetraacetate | [(2R,3R,4S,5R,6S)-3,4,6-triacetyloxy-5-[(2S,3R,4R, |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,6-triacetyloxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate |
INCHI | InChI=1S/C26H36O17/c1-10-19(36-12(3)28)21(38-14(5)30)23(40-16(7)32)25(35-10)43-24-22(39-15(6)31)20(37-13(4)29)18(9-34-11(2)27)42-26(24)41-17(8)33/h10,18-26H,9H2,1-8H3/t10-,18+,19-,20+,21+,22-,23+,24+,25-,26+/m0/s1 |
InChi Key | PXSGTFALWGIXGH-VFBVLVIPSA-N |
Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Isomeric SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
PubChem CID | 51346135 |
Molecular Weight | 620.55 |
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