(Q105138972)

English

Methyl 10,15,16-trihydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

group of stereoisomers with the chemical formula C₂₈H₃₆O₁₂

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instance of

group of stereoisomers

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564.220676592 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₂

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canonical SMILES

O=C(OC1C(=O)OC2CC3C(=C(O)C(=O)CC3(C)C4C(O)C(O)C5(OCC24C15)C(=O)OC)C)C=C(C)C(O)(C)C

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Identifiers

InChI

InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3

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InChIKey

KCVFVYXSNLKEHU-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KCVFVYXSNLKEHU-UHFFFAOYSA-N

1 reference

(Q105138972)

Methyl 10,15,16-trihydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

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