(Q82890411)

English

Stigmastane-3,7,12,24-tetrol

group of stereoisomers with the chemical formula C₂₉H₅₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

464.38656014399993 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₂O₄

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(O)(CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(O)(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)CC4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C)C(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C29H52O4/c1-7-29(33,17(2)3)13-10-18(4)21-8-9-22-26-23(16-25(32)28(21,22)6)27(5)12-11-20(30)14-19(27)15-24(26)31/h17-26,30-33H,7-16H2,1-6H3/t18-,19?,20?,21-,22+,23+,24?,25?,26+,27+,28-,29?/m1/s1

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InChIKey

UVJPKVFUOGKUPU-XHRWIALYSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID801347308

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(Q82890411)

Stigmastane-3,7,12,24-tetrol

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Identifiers

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