(Q105123481)

English

(2R,4S,5S,7R,8S)-7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-[(2Z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

group of stereoisomers with the chemical formula C₁₉H₂₆BrClO₅

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Statements

group of stereoisomers

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chemical compound

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448.0652137119999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₆BrClO₅

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canonical SMILES

O=C(OC1CC(OC(CC=CC#C)C(OC(=O)C)CC1Cl)C(Br)CC)C

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isomeric SMILES

C#C/C=C\C[C@@H]1O[C@@H](C(Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1OC(C)=O

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Identifiers

InChI=1S/C19H26BrClO5/c1-5-7-8-9-16-19(25-13(4)23)10-15(21)18(24-12(3)22)11-17(26-16)14(20)6-2/h1,7-8,14-19H,6,9-11H2,2-4H3/b8-7-/t14?,15-,16-,17+,18-,19+/m0/s1

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IZUAHIQVPWUNPB-SYCPSLIESA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IZUAHIQVPWUNPB-SYCPSLIESA-N

UniChem compound ID

1 reference

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