(Q104401566)

English

5-(1,2-dihydroxy-4-oxocyclohexyl)-3-[6-[(Z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methylpyridin-2-one

group of stereoisomers with the chemical formula C₂₈H₄₃NO₆

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Statements

instance of

group of stereoisomers

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1 reference

489.309038096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₃NO₆

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canonical SMILES

O=C1C(=C(O)C(=CN1C)C2(O)CCC(=O)CC2O)C3OC(C(=CC(C)CC(C)CC)C)C(C)CC3

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isomeric SMILES

CCC(C)CC(C)/C=C(/C)C1OC(c2c(O)c(C3(O)CCC(=O)CC3O)cn(C)c2=O)CCC1C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H43NO6/c1-7-16(2)12-17(3)13-19(5)26-18(4)8-9-22(35-26)24-25(32)21(15-29(6)27(24)33)28(34)11-10-20(30)14-23(28)31/h13,15-18,22-23,26,31-32,34H,7-12,14H2,1-6H3/b19-13-

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InChIKey

CYNJYGDSSURTLH-UYRXBGFRSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CYNJYGDSSURTLH-UYRXBGFRSA-N

1 reference

(Q104401566)

5-(1,2-dihydroxy-4-oxocyclohexyl)-3-[6-[(Z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methylpyridin-2-one

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