(Q104950698)

English

BZUQVQPQKYYEHB-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₅H₉₀O₂₃

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Statements

group of stereoisomers

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pregnane steroid

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pregnane steroid

1,118.5872891400006 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₅H₉₀O₂₃

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canonical SMILES

O=C(C)C1CCC2(O)C3CC=C4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(OC)C7)C(OC)C6)C(OC)C5)CCC4(C)C3C(O)C(O)C12C

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Identifiers

InChI=1S/C55H90O23/c1-23(57)30-15-17-55(64)31-13-12-28-18-29(14-16-53(28,6)39(31)41(59)50(63)54(30,55)7)73-36-19-32(65-8)45(24(2)69-36)75-37-20-33(66-9)46(25(3)70-37)76-38-21-34(67-10)47(26(4)71-38)77-52-44(62)49(68-11)48(27(5)72-52)78-51-43(61)42(60)40(58)35(22-56)74-51/h12,24-27,29-52,56,58-64H,13-22H2,1-11H3

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BZUQVQPQKYYEHB-UHFFFAOYSA-N

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1 reference

15 September 2022

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