(Q27159768)

6alpha-Hydroxyestrone (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₂O₃

1 reference

6alpha-Hydroxyestrone (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CC(C4=C3C=CC(=C4)O)O

1 reference

6alpha-Hydroxyestrone (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=C3C=CC(=C4)O)O

1 reference

6alpha-Hydroxyestrone (English)

InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12-,13-,15+,16+,18+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

6alpha-Hydroxyestrone (English)

9 October 2016

2 references

6alpha-Hydroxyestrone (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

6alpha-hydroxyestrone (English)

9 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1476-78-4

9 April 2021

1 reference

(6alpha)-3,6-Dihydroxyestra-1,3,5(10)-trien-17-one (English)

9 October 2016

2 references

6alpha-Hydroxyestrone (English)

matched by identifier from

9 October 2016

Reaxys registry number

5974572

1 reference

6alpha-hydroxyestrone (English)

9 October 2016

ChEBI ID

87605

mapping relation type

2 references

6alpha-hydroxyestrone (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12-,13-,15+,16+,18+/m1/s1

1 reference

DSSTOX compound identifier

CHEMBL1908076 (English)

9 October 2016

1 reference

0 references

0 references

2 references

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

matched by identifier from

6 November 2021