(Q82886743)

English

17-Hydroxy-5',5',10,13-tetramethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-17-carbonitrile

group of stereoisomers with the chemical formula C₂₅H₃₇NO₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

399.277344044 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₇NO₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)COC2(CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C#N)C2)OC1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)COC2(CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CCC3(O)C#N)C2)OC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H37NO3/c1-21(2)15-28-25(29-16-21)12-11-22(3)17(13-25)5-6-18-19(22)7-9-23(4)20(18)8-10-24(23,27)14-26/h5,18-20,27H,6-13,15-16H2,1-4H3/t18-,19+,20+,22+,23+,24?/m1/s1

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InChIKey

HRIJEKVYQIAMPL-OQHMMIIGSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001344679

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(Q82886743)

17-Hydroxy-5',5',10,13-tetramethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-17-carbonitrile

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