(Q27148519)

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

8 October 2016

chemical formula

C₂₀H₂₆O₃

1 reference

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

8 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)C(=O)C=C4C3(CCC(=C4)OC)C

1 reference

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

8 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCC(=C4)OC)C

1 reference

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

InChI=1S/C20H26O3/c1-19-8-6-13(23-3)10-12(19)11-16(21)18-14-4-5-17(22)20(14,2)9-7-15(18)19/h10-11,14-15,18H,4-9H2,1-3H3/t14-,15-,18-,19-,20-/m0/s1

8 October 2016

Identifiers

InChI

1 reference

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

AUFJJDNCJZQOKS-ZESOOZHZSA-N

8 October 2016

InChIKey

2 references

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

8 October 2016

stated in

ChEBI release 2020-09-01

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3-Methoxyandrosta-3,5-diene-7,17-dione (English)

8 October 2016

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3-Methoxy-androsta-3,5-diene-7,17-dione (English)

8 October 2016

ChEBI ID

79455

mapping relation type

1 reference

DSSTOX compound identifier

3-Methoxy-androsta-3,5-diene-7,17-dione (English)

8 October 2016

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1 reference

3-Methoxy-androsta-3,5-diene-7,17-dione (English)