(Q27159535)

(5alpha,17alpha)-17-Hydroxyestran-3-one

SCHEMBL5863117 (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₈O₂

1 reference

SCHEMBL5863117 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4

1 reference

SCHEMBL5863117 (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]4[C@@H]3CCC(=O)C4

1 reference

SCHEMBL5863117 (English)

InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13+,14-,15-,16+,17+,18+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL5863117 (English)

9 October 2016

2 references

SCHEMBL5863117 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

SCHEMBL5863117 (English)

9 October 2016

Reaxys registry number

3204928

1 reference

17beta-hydroxy-5beta-estran-3-one (English)

9 October 2016

ChEBI ID

87333

mapping relation type

2 references

17beta-hydroxy-5beta-estran-3-one (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13+,14-,15-,16+,17+,18+/m1/s1

1 reference

Human Metabolome Database ID

HMDB0062677

2 references

based on heuristic

inferred from InChIKey

https://www.swisslipids.org/#/downloads

2 references

6 November 2021