(Q27132230)

17-Deoxyestradiol (English)

7 October 2016

chemical formula

C₁₈H₂₄O

1 reference

17-Deoxyestradiol (English)

20 November 2016

canonical SMILES

CC12CCCC1C3CCC4=C(C3CC2)C=CC(=C4)O

1 reference

17-Deoxyestradiol (English)

20 November 2016

isomeric SMILES

C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O

1 reference

17-Deoxyestradiol (English)

InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1

20 November 2016

Identifiers

InChI

1 reference

17-Deoxyestradiol (English)

20 November 2016

2 references

17-Deoxyestradiol (English)

Global Substance Registration System

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

53-63-4

2 references

stated in

UNII

73A01W88SP

17-deoxyestradiol (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=53-63-4

9 April 2021

1 reference

Estra-1(10),2,4-trien-3-ol (English)

20 November 2016

1 reference

17-Deoxyestradiol (English)

20 November 2016

Reaxys registry number

2561511

1 reference

17-desoxyestradiol (English)

7 October 2016

ChEBI ID

62844

mapping relation type

2 references

CHEMBL261406 (English)

matched by identifier from

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1

1 reference

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

CHEMBL261406 (English)

20 November 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

73A01W88SP

17-deoxyestradiol (English)

matched by identifier from

20 November 2016