(Q105103407)

English

[(8R,12R,13R)-13-methyl-3-methylidene-2,18-dioxo-7,9,17-trioxahexacyclo[9.7.1.1¹,⁴.0⁶,¹⁹.0⁸,¹².0¹¹,¹⁶]icosan-13-yl]methyl acetate

group of stereoisomers with the chemical formula C₂₂H₂₆O₇

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Statements

group of stereoisomers

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chemical compound

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402.1678531719999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₆O₇

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canonical SMILES

O=C(OCC1(C)CCC2OC(=O)C34C(=O)C(=C)C(CC5OC6OCC2(C61)C53)C4)C

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isomeric SMILES

C=C1C(=O)C23CC1CC1O[C@H]4OCC5(C(CC[C@@](C)(COC(C)=O)[C@@H]45)OC2=O)C13

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Identifiers

InChI=1S/C22H26O7/c1-10-12-6-13-15-21(7-12,17(10)24)19(25)29-14-4-5-20(3,8-26-11(2)23)16-18(28-13)27-9-22(14,15)16/h12-16,18H,1,4-9H2,2-3H3/t12?,13?,14?,15?,16-,18-,20+,21?,22?/m1/s1

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CYAORDQHZAHYIE-GYFDOTQFSA-N

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based on heuristic

inferred from InChIKey

UniChem compound ID

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