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Catalog | BBC153355705 |
CAS | 153355-70-5 |
IUPAC Name | (1R,3R,6R,7S,8S,10R,11R,12R,13R)-8-tert-butyl-6,12-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-16-ene-5,15,18-trione |
Molecular Weight | 406.38 |
Molecular Formula | C20H22O9 |
Canonical SMILES | CC1=C2[C@H]([C@@H]([C@@]34[C@@]25C(=O)O[C@@H]3C[C@H]([C@@]46[C@H](C(=O)O[C@H]6O5)O)C(C)(C)C)O)OC1=O |
InChI | InChI=1S/C20H22O9/c1-6-9-10(27-13(6)23)11(21)19-8-5-7(17(2,3)4)18(19)12(22)14(24)28-16(18)29-20(9,19)15(25)26-8/h7-8,10-12,16,21-22H,5H2,1-4H3/t7-,8+,10+,11-,12-,16-,18-,19-,20-/m0/s1 |
InChI Key | MGXAKXRVQRODDX-GNQXGQJISA-N |
Boiling Point | 743.5±60.0 °C |
Purity | 98% |
Density | 1.60±0.1 g/ml |
Appearance | White powder |
pKa | 12.10±0.70 |
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