(Q105321966)

English

WXYGKQHQSYONAN-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₈H₈₆O₁₉

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Statements

group of stereoisomers

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pregnane steroid

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pregnane steroid

1,086.576330532 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₈H₈₆O₁₉

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(O)C(OC)C7)C(OC)C6)C(OC)C5)C(OC)C4)CCC32C)C8(O)CCC(O)(C(=O)C)C18C)C=CC=9C=CC=CC9

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Identifiers

InChI=1S/C58H86O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-34,38-44,46-53,61-64H,20-30H2,1-11H3

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WXYGKQHQSYONAN-UHFFFAOYSA-N

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1 reference

15 September 2022

UniChem compound ID

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