(Q105361202)

English

CID 16182041

group of stereoisomers with the chemical formula C₆₁H₄₆O₄₀

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Statements

group of stereoisomers

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chemical compound

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1,418.9964 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₆₁H₄₆O₄₀

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canonical SMILES

O=C1OCC2OC(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3OC=4C=C5C(=O)OCC6OC(O)C(O)C(OC(=O)C7=CC(O)=C(O)C(O)=C7)C6OC(=O)C8=CC(O)=C(O)C(O)=C8C5=C(O)C4O)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)C2OC(=O)C%10=CC(O)=C(O)C(O)=C%10C%11=C(O)C(O)=C(O)C=C1%11

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Identifiers

InChI=1S/C61H46O40/c62-19-1-12(2-20(63)34(19)70)53(83)99-50-46(82)60(90)95-28-10-93-56(86)17-9-27(40(76)44(80)33(17)32-16(57(87)97-48(28)50)7-25(68)38(74)43(32)79)94-47-18(8-26(69)39(75)45(47)81)59(89)101-52-51(100-54(84)13-3-21(64)35(71)22(65)4-13)49-29(96-61(52)91)11-92-55(85)14-5-23(66)36(72)41(77)30(14)31-15(58(88)98-49)6-24(67)37(73)42(31)78/h1-9,28-29,46,48-52,60-82,90-91H,10-11H2

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YSZCWVFVECLWPT-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

YSZCWVFVECLWPT-UHFFFAOYSA-N

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