(Q104170182)

English

KDLAXKWCMPFSGH-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₈₅H₁₁₂O₃₉

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Statements

group of stereoisomers

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chemical compound

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1,756.6780737639967 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈₅H₁₁₂O₃₉

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canonical SMILES

O=C1C(OC)=C(C(=O)C=2C(O)=C3C(=O)C4(O)C5C(OC4(CCC)C(OC6OC(C)C(OC7OC(C)C(O)(C(=O)C)C(O)C7)CC6)C(O)C5OC8OC(C)C(O)C(O)C8)C3=C(O)C12)C=9C(O)=C%10C(O)=C%11C(=O)C%12(O)C(CC%11=CC%10=C(OC)C9OC)C(OC%13OC(C)C(O)C(O)C%13)C(O)C(OC%14OC(C)C(OC%15OC(C)C(O)(C(=O)C)C(O)C%15)CC%14)C%12(O)CCC

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Identifiers

InChI=1S/C85H112O39/c1-14-20-80(104)78(122-45-18-16-41(28(3)112-45)118-49-26-43(90)82(105,32(7)86)34(9)116-49)68(100)71(120-47-24-39(88)60(92)30(5)114-47)38-23-36-22-37-52(62(94)51(36)76(102)84(38,80)107)63(95)56(74(111-13)70(37)109-11)55-64(96)53-54(67(99)73(55)110-12)65(97)57-58(66(53)98)77(103)85(108)59-72(57)124-81(85,21-15-2)79(69(101)75(59)121-48-25-40(89)61(93)31(6)115-48)123-46-19-17-42(29(4)113-46)119-50-27-44(91)83(106,33(8)87)35(10)117-50/h22,28-31,34-35,38-50,59-61,68-69,71-72,75,78-79,88-95,97-98,100-101,104-108H,14-21,23-27H2,1-13H3

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KDLAXKWCMPFSGH-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

KDLAXKWCMPFSGH-UHFFFAOYSA-N

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