(Q105120237)

English

ITQYJNNFOOJKNA-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₉H₇₈O₂₀

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Statements

group of stereoisomers

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chemical compound

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986.508644896 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₉H₇₈O₂₀

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canonical SMILES

O=C(OC)CC1OC(C)(C)C2CCC3(C)C(C(O)CC4C5C(C(=C)C)CCC5(C(=O)OC6OC(COC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CCC43C)C12C

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Identifiers

InChI=1S/C49H78O20/c1-20(2)22-10-13-49(15-14-46(6)23(30(22)49)16-24(51)40-47(46,7)12-11-27-45(4,5)69-28(48(27,40)8)17-29(52)62-9)44(61)68-43-37(59)34(56)32(54)26(66-43)19-63-41-38(60)35(57)39(25(18-50)65-41)67-42-36(58)33(55)31(53)21(3)64-42/h21-28,30-43,50-51,53-60H,1,10-19H2,2-9H3

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ITQYJNNFOOJKNA-UHFFFAOYSA-N

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1 reference

15 September 2022

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