(Q82961156)

English

Spirostan-3-amine

group of stereoisomers with the chemical formula C₂₇H₄₅NO₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

415.34502968000004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₅NO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2(OC1)OC1CC3C4CCC5CC(N)CCC5(C)C4CCC3(C)C1C2C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1CCC2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H45NO2/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24H,5-15,28H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27?/m0/s1

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InChIKey

BADUKLRFTFBRSD-UYMSIMDASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901403692

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(Q82961156)

Spirostan-3-amine

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Identifiers

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