(Q82994060)

English

Sonderianin

group of stereoisomers with the chemical formula C₂₁H₂₆O₅

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Statements

group of stereoisomers

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chemical compound

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358.1780239319999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₆O₅

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canonical SMILES

O=C(OC)C1=CCCC2C1(C)CCC(C)C32C(=O)OC(C4=COC=C4)C3

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isomeric SMILES

COC(=O)C1=CCC[C@H]2C1(C)CCC(C)C21CC(c2ccoc2)OC1=O

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Identifiers

InChI=1S/C21H26O5/c1-13-7-9-20(2)15(18(22)24-3)5-4-6-17(20)21(13)11-16(26-19(21)23)14-8-10-25-12-14/h5,8,10,12-13,16-17H,4,6-7,9,11H2,1-3H3/t13?,16?,17-,20?,21?/m0/s1

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PCYSFZDXGZBRMA-XZPKDNPVSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

DTXSID601000455

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DSSTOX compound identifier

DTXCID501427418

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