4-Methoxyestrone (Q26998375)

4-Methoxyestrone (English)

26 September 2016

chemical formula

C₁₉H₂₄O₃

1 reference

4-Methoxyestrone (English)

26 September 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4OC)O

1 reference

4-Methoxyestrone (English)

26 September 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4OC)O

1 reference

http://identifiers.org/wikipathways/WP697_r85083

4-Methoxyestrone (English)

26 September 2016

1 reference

24 September 2016

Identifiers

InChI

InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1

1 reference

4-Methoxyestrone (English)

PUEXVLNGOBYUEW-BFDPJXHCSA-N

26 September 2016

InChIKey

2 references

4-Methoxyestrone (English)

PUEXVLNGOBYUEW-BFDPJXHCSA-N

26 September 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

58562-33-7

1 reference

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=58562-33-7

1 reference

3-Hydroxy-4-methoxyestra-1,3,5(10)-trien-17-one (English)

26 September 2016

1 reference

4-Methoxyestrone (English)

26 September 2016

ChEBI ID

136972

mapping relation type

exact match

1 reference

stated in

ChEBI release 2019-10-02

1 reference