(Q82903612)

English

3-{15-Hydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl}-5-methylfuran-2(5H)-one

group of stereoisomers with the chemical formula C₃₇H₆₈O₅

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Statements

group of stereoisomers

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chemical compound

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592.5066752759999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₆₈O₅

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canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1

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Identifiers

InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31?,33-,34-,35-,36-/m1/s1

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BDGWQMLWIGDEKO-JCUARTOZSA-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

DTXCID401357557

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