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Agarotetrol Impurity 1
CAS Number: 69809-23-0
IUPAC name: [(5S,6R,7R,8S)-5,7,8-triacetyloxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-6-yl] acetate
Molecular formula: C25H26O10
Molecular weight: 486.5
InChI: InChI=1S/C25H26O10/c1-13(26)31-21-20-19(30)12-18(11-10-17-8-6-5-7-9-17)35-22(20)24(33-15(3)28)25(34-16(4)29)23(21)32-14(2)27/h5-9,12,21,23-25H,10-11H2,1-4H3/t21-,23+,24+,25+/m0/s1
InChIKey: QKJYAUVKGCIQNF-KVZCNWPJSA-N
SMILES: CC(=O)O[C@H]1[C@H]([C@@H](C2=C([C@@H]1OC(=O)C)C(=O)C=C(O2)CCC3=CC=CC=C3)OC(=O)C)OC(=O)C
EINECS: -
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