(Q104990654)

English

[4,5-Dihydroxy-6-[4-hydroxy-2-methyl-5-(2-methylbutanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₅₀H₈₆O₂₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,006.5712451520006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₈₆O₂₀

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canonical SMILES

O=C1OC2C(O)C(OC(C)C2OC3OC(C)C(OC4OC(C)C(OC(=O)C(C)CC)C(O)C4O)C(O)C3OC(=O)C(C)CC)OC5C(O)C(O)C(OC(CCCCC)CCCCCCCCC1)OC5C

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Identifiers

InChI

InChI=1S/C50H86O20/c1-10-13-19-22-31-23-20-17-15-14-16-18-21-24-32(51)65-43-38(57)49(68-40-28(7)60-47(64-31)35(54)34(40)53)62-30(9)42(43)70-50-44(67-46(59)26(5)12-3)37(56)41(29(8)63-50)69-48-36(55)33(52)39(27(6)61-48)66-45(58)25(4)11-2/h25-31,33-44,47-50,52-57H,10-24H2,1-9H3

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InChIKey

DWOBHZGNBWNEGH-UHFFFAOYSA-N

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PubChem CID

85246754

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DWOBHZGNBWNEGH-UHFFFAOYSA-N

(Q104990654)

[4,5-Dihydroxy-6-[4-hydroxy-2-methyl-5-(2-methylbutanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] 2-methylbutanoate

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