(Q110203989)

English

(1,5,14,18,22,22,26-Heptamethyl-7-sulfooxy-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-trien-10-yl) hydrogen sulfate

group of stereoisomers with the chemical formula C₃₆H₅₄O₉S₂

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Statements

group of stereoisomers

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chemical compound

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694.320925308 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₉S₂

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canonical SMILES

O=S(=O)(O)OC1=CC=C(OS(=O)(=O)O)C2=C1CC3C2(C)CCC4C3(C)CCC5C6(C)CCC7C(OC6CCC54C)(C)CCCC7(C)C

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Identifiers

InChI=1S/C36H54O9S2/c1-31(2)15-8-16-36(7)25(31)11-18-34(5)27-12-17-33(4)26(32(27,3)20-14-29(34)43-36)13-19-35(6)28(33)21-22-23(44-46(37,38)39)9-10-24(30(22)35)45-47(40,41)42/h9-10,25-29H,8,11-21H2,1-7H3,(H,37,38,39)(H,40,41,42)

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XXJQNRPPCJSVDF-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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