(Q105172750)

English

3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2,2-dimethyl-3H,4H-naphtho[2,3-b]pyran-5,10-dione

group of stereoisomers with the chemical formula C₂₅H₃₀Cl₂O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

496.14194403999994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀Cl₂O₆

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canonical SMILES

O=C1C=2C=C(O)C=C(O)C2C(=O)C3(Cl)CC(Cl)C(OC13CC=C(C)CCC(O)C(=C)C)(C)C

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isomeric SMILES

C=C(C)C(O)CC/C(C)=C/CC12OC(C)(C)C(Cl)CC1(Cl)C(=O)c1c(O)cc(O)cc1C2=O

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H30Cl2O6/c1-13(2)17(29)7-6-14(3)8-9-25-21(31)16-10-15(28)11-18(30)20(16)22(32)24(25,27)12-19(26)23(4,5)33-25/h8,10-11,17,19,28-30H,1,6-7,9,12H2,2-5H3/b14-8+

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InChIKey

MUVCLXZNRJJIGV-RIYZIHGNSA-N

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PubChem CID

6443893

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matched by identifier from

InChIKey

MUVCLXZNRJJIGV-RIYZIHGNSA-N

(Q105172750)

3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2,2-dimethyl-3H,4H-naphtho[2,3-b]pyran-5,10-dione

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