(Q105378880)

English

[2-(2,4-Dihydroxybutyl)-4,5-dihydroxy-6-[2,3,9-trihydroxy-7,11-dimethyl-5-methylidene-12-(10,15,16-trihydroxy-19-oxo-1-oxacyclononadeca-5,11,17-trien-2-yl)dodec-7-enyl]oxan-3-yl] hydrogen sulfate

group of stereoisomers with the chemical formula C₄₂H₇₀O₁₇S

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instance of

group of stereoisomers

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1 reference

878.4333717800006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₇₀O₁₇S

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canonical SMILES

O=C1OC(CCC=CCCCC(O)C=CCCC(O)C(O)C=C1)CC(C)CC(O)C=C(C)CC(=C)CC(O)C(O)CC2OC(CC(O)CCO)C(OS(=O)(=O)O)C(O)C2O

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Identifiers

InChI

InChI=1S/C42H70O17S/c1-26(19-27(2)23-35(49)36(50)25-37-40(52)41(53)42(59-60(54,55)56)38(58-37)24-30(45)17-18-43)20-31(46)21-28(3)22-32-13-8-6-4-5-7-11-29(44)12-9-10-14-33(47)34(48)15-16-39(51)57-32/h4,6,9,12,15-16,20,28-38,40-50,52-53H,2,5,7-8,10-11,13-14,17-19,21-25H2,1,3H3,(H,54,55,56)

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InChIKey

ZLGBCMITYMUWJS-UHFFFAOYSA-N

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PubChem CID

73808098

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZLGBCMITYMUWJS-UHFFFAOYSA-N

(Q105378880)

[2-(2,4-Dihydroxybutyl)-4,5-dihydroxy-6-[2,3,9-trihydroxy-7,11-dimethyl-5-methylidene-12-(10,15,16-trihydroxy-19-oxo-1-oxacyclononadeca-5,11,17-trien-2-yl)dodec-7-enyl]oxan-3-yl] hydrogen sulfate

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