2-methoxyestrone 3-sulfate (Q27105424)

2-Methoxyestrone 3-sulfate (English)

5 October 2016

chemical formula

C₁₉H₂₄O₆S

1 reference

2-Methoxyestrone 3-sulfate (English)

5 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)O

1 reference

2-Methoxyestrone 3-sulfate (English)

5 October 2016

isomeric SMILES

C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)O

1 reference

2-Methoxyestrone 3-sulfate (English)

InChI=1S/C19H24O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13-,15-,19+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

2-Methoxyestrone 3-sulfate (English)

SCVLBAOQZXPGMZ-XXZHDZSNSA-N

5 October 2016

InChIKey

2 references

2-Methoxyestrone 3-sulfate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(9beta,14beta)-2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate (English)

5 October 2016

2 references

2-Methoxyestrone 3-sulfate (English)

matched by identifier from

5 October 2016

InChIKey

SCVLBAOQZXPGMZ-XXZHDZSNSA-N

ChEBI ID

1191

mapping relation type

2 references

2-methoxyestrone 3-sulfate (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H24O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13-,15-,19+/m1/s1

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

2-methoxyestrone 3-sulfate (English)

5 October 2016

1 reference