(Q27148707)

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

chemical formula

C₂₀H₃₀O₂

1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

canonical SMILES

CC1CC(=O)CC2=C1C3CCC4(C(C3CC2)CCC4(C)O)C

1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

isomeric SMILES

CC1CC(=O)CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@]4(C)O)C

1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16(18(12)13)6-8-19(2)17(15)7-9-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t12?,15-,16+,17+,19+,20+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

LNILKVZKBQKVRH-HCHYHSJESA-N

8 October 2016

InChIKey

2 references

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

ChEBI ID

79590

mapping relation type

1 reference

DSSTOX compound identifier

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)

8 October 2016

1 reference

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1 reference

17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one (English)