(Q82006322)

English

(12xi)-trichothec-9-ene

group of stereoisomers with the chemical formula C₁₅H₂₄O

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Statements

group of stereoisomers

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chemical compound

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220.182715388 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₄O

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based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC2OC3CCC(C)(C3C)C2(C)CC1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C[C@H]2O[C@@H]3CC[C@@](C)(C3C)[C@@]2(C)CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C15H24O/c1-10-5-7-15(4)13(9-10)16-12-6-8-14(15,3)11(12)2/h9,11-13H,5-8H2,1-4H3/t11?,12-,13-,14+,15+/m1/s1

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FXELQRCNOUMUMW-IWNKAIHXSA-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

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