(Q82961688)

English

4-Hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate

group of stereoisomers with the chemical formula C₁₉H₂₆O₇

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Statements

group of stereoisomers

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chemical compound

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366.167853172 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC12CCC(C)=CC1OC1C(OC(C)=O)C(O)C2(C)C12CO2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)OC[C@]12CCC(C)=CC1O[C@@H]1C(OC(C)=O)[C@@H](O)[C@@]2(C)[C@]12CO2

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(25-12(3)21)15(22)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13?,14?,15-,16-,17-,18-,19+/m1/s1

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ZPPOOYJPNZHNBT-ZZYSVPOESA-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

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DSSTOX compound identifier

DTXCID901404090

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