(Q82087812)

English

NSC608491

chemical compound

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Statements

group of stereoisomers

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chemical compound

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318.21949481999997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

OC=1C=C2C(=CC1C(C)C)CCC3C(O)(CCCC3(C)C)C2O

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isomeric SMILES

CC(C)c1cc2c(cc1O)C(O)C1(O)CCCC(C)(C)[C@H]1CC2

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Identifiers

InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,23)18(22)15(13)11-16(14)21/h10-12,17-18,21-23H,5-9H2,1-4H3/t17-,18?,20?/m1/s1

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PNHKTXLBKGDTNY-PGYGNJIDSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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1 reference

based on heuristic

inferred from InChIKey

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