(Q82854070)

English

(8S,13S,14S,17R)-13-Ethyl-17-(1,1,2,2-~2~H_4_)ethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

316.23403712 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₈O₂

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canonical SMILES

[2H]C([2H])C([2H])([2H])C1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21CC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[2H]C([2H])C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O

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Identifiers

InChI

InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1/i2D2,4D2

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InChIKey

OXHNQTSIKGHVBH-LACWPDIVSA-N

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matched by identifier from

InChIKey

OXHNQTSIKGHVBH-LACWPDIVSA-N

1 reference

1 reference

matched by identifier from

InChIKey

OXHNQTSIKGHVBH-LACWPDIVSA-N

DSSTOX compound identifier

DTXCID60809197

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(Q82854070)

(8S,13S,14S,17R)-13-Ethyl-17-(1,1,2,2-~2~H_4_)ethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

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