(Q105224966)

English

QOKZNLCOQRNCTQ-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₇H₉₆O₂₈

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Statements

group of stereoisomers

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furostan steroid

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furostan steroid

1,228.6088124320001 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₇H₉₆O₂₈

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canonical SMILES

OCC1OC(OCC(C)CCC2(OC)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

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Brunfelsia grandiflora

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A new leishmanicidal saponin from Brunfelsia grandiflora

Identifiers

InChI=1S/C57H96O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h22-54,58-73H,6-21H2,1-5H3

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QOKZNLCOQRNCTQ-UHFFFAOYSA-N

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1 reference

15 September 2022

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