(Q104921513)

English

AYXWWRAVVDSOLC-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₆H₉₀O₁₉

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Statements

group of stereoisomers

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pregnane steroid

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pregnane steroid

1,066.6076306600005 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₆H₉₀O₁₉

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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)C7O)C(OC)C6)C(OC)C5)C(OC)C4)CCC32C)C8(O)CCC(C(=O)C)C18C)C=C(C)C(C)C

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Identifiers

InChI=1S/C56H90O19/c1-27(2)28(3)21-42(58)72-41-26-40-53(9)18-16-35(22-34(53)15-19-55(40,61)56(62)20-17-36(29(4)57)54(41,56)10)71-43-23-37(63-11)48(31(6)67-43)73-44-24-38(64-12)49(32(7)68-44)74-45-25-39(65-13)50(33(8)69-45)75-52-47(60)51(66-14)46(59)30(5)70-52/h15,21,27,30-33,35-41,43-52,59-62H,16-20,22-26H2,1-14H3

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AYXWWRAVVDSOLC-UHFFFAOYSA-N

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1 reference

15 September 2022

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