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Inherent Properties, Identifiers and References
ChemSpider ID: 56014
Empirical Formula: C31H70O18
Molecular Weight: 730.8767
Nominal Mass: 730 Da
Average Mass: 730.8767 Da
Monoisotopic Mass: 730.456215 Da
Systematic Name: 2-(2-hydroxypropoxy)propan-1-ol - methyl beta-D-glucopyranoside (​4:1)
SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC)CO.OCC(OCC(O)C)C.OCC(OCC​(O)C)C.OCC(OCC(O)C)C.OCC(OCC(O)C)C Copy
InChI: InChI=1/C7H14O6.4C6H14O3/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;4*1-5(8​)4-9-6(2)3-7/h3-11H,2H2,1H3;4*5-8H,3-4H2,1-2H3/t3-,4-,5+,6-,7-;;;​;/m1..../s1 Copy
InChIKey: WQKLGQXWHKQTPO-UXRZSMILBT
Std. InChI: InChI=1S/C7H14O6.4C6H14O3/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;4*1-5(​8)4-9-6(2)3-7/h3-11H,2H2,1H3;4*5-8H,3-4H2,1-2H3/t3-,4-,5+,6-,7-;;​;;/m1..../s1 Copy
Std. InChIKey: WQKLGQXWHKQTPO-UXRZSMILSA-N
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