(Q27148860)

Estriol 3-methyl ether (English)

8 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₃

1 reference

Estriol 3-methyl ether (English)

8 October 2016

canonical SMILES

CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC

1 reference

Estriol 3-methyl ether (English)

8 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC

1 reference

Estriol 3-methyl ether (English)

InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

Estriol 3-methyl ether (English)

UHQGCIIQUZBJAE-QKDSSNGWSA-N

8 October 2016

InChIKey

2 references

Estriol 3-methyl ether (English)

8 October 2016

stated in

ChEBI release 2020-09-01

2 references

3-Methoxyestriol (English)

UHQGCIIQUZBJAE-QKDSSNGWSA-N

8 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1474-53-9

1 reference

3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol (English)

8 October 2016

2 references

Estriol 3-methyl ether (English)

matched by identifier from

8 October 2016

InChIKey

UHQGCIIQUZBJAE-QKDSSNGWSA-N

ChEBI ID

79728

mapping relation type

2 references

3-Methoxyestriol (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL3138706 (English)

8 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID302499

0 references

EC number

633-950-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.161.975

27 December 2018

ECHA Substance Infocard ID

3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 3-methyl ether (English)

quotation

CAS no.: 1474-53-9 (English)

100.161.975

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.161.975

27 December 2018

3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 3-methyl ether (English)

quotation

CAS no.: 1474-53-9 (English)

1 reference

3-Methoxyestriol (English)