(Q105143484)

English

KNNZSXNMCSUVHD-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₀H₈₂O₂₁

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Statements

group of stereoisomers

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furostan steroid

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furostan steroid

1,018.534859644 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₀H₈₂O₂₁

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canonical SMILES

OCC1OC(OCC(C)CCC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O)C6(C)C5CCC4(C)C3C2C)C)C(O)C(O)C1O

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Identifiers

InChI=1S/C50H82O21/c1-20(17-63-44-40(61)38(59)36(57)31(16-51)67-44)9-12-49(5)21(2)33-30(71-49)15-27-25-8-7-23-13-24(52)14-32(50(23,6)26(25)10-11-48(27,33)4)68-47-43(70-46-41(62)37(58)34(55)22(3)66-46)42(29(54)19-65-47)69-45-39(60)35(56)28(53)18-64-45/h7,20-22,24-47,51-62H,8-19H2,1-6H3

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KNNZSXNMCSUVHD-UHFFFAOYSA-N

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1 reference

15 September 2022

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