Epiestriol (Q24897913)

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chemical compound

epiestriol
Estra-1,3,5(10)-triene-3,16beta,17beta-triol
16beta,17beta-estriol
estra-1,3,5(10)-triene-3,16beta,17-triol
16-Epiestriol
Actriol
16b,17b-Estriol
Estra-1,3,5(10)-triene-3,16b,17b-triol
Estra-1,3,5(10)-triene-3,16b,17-triol
16-Epiestratriol
(1S,10R,11S,13S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,13,14-triol
16-Epi-Estriol

Language	Label	Description	Also known as
English	Epiestriol	chemical compound	epiestriol Estra-1,3,5(10)-triene-3,16beta,17beta-triol 16beta,17beta-estriol estra-1,3,5(10)-triene-3,16beta,17-triol 16-Epiestriol Actriol 16b,17b-Estriol Estra-1,3,5(10)-triene-3,16b,17b-triol Estra-1,3,5(10)-triene-3,16b,17-triol 16-Epiestratriol (1S,10R,11S,13S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,13,14-triol 16-Epi-Estriol

Statements

type of chemical entity

0 references

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chemical structure

Epiestriol.svg
1,345 × 780; 21 KB

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288.173±0 dalton

1 reference

language of work or name

Epiestriol (English)

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

16β,17α-epiestriol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₄O₃

1 reference

language of work or name

Epiestriol (English)

19 November 2016

canonical SMILES

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

1 reference

language of work or name

Epiestriol (English)

19 November 2016

isomeric SMILES

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

1 reference

language of work or name

Epiestriol (English)

19 November 2016

World Health Organisation international non-proprietary name

epiestriol (English)

1 reference

language of work or name

16beta-hydroxyestradiol (English)

9 October 2016

Identifiers

InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1

1 reference

language of work or name

Epiestriol (English)

19 November 2016

PROQIPRRNZUXQM-ZMSHIADSSA-N

2 references

language of work or name

Epiestriol (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

epiestriol (English)

19 November 2016

PROQIPRRNZUXQM-ZMSHIADSSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=547-81-9

1 reference

language of work or name

16b-Hydroxyestradiol (English)

19 November 2016

2 references

language of work or name

Epiestriol (English)

19 November 2016

matched by identifier from

PROQIPRRNZUXQM-ZMSHIADSSA-N

Reaxys registry number

3210437

1 reference

language of work or name

16beta-hydroxyestradiol (English)

9 October 2016

mapping relation type

2 references

language of work or name

EPIESTRIOL (English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1

1 reference

language of work or name

EPIESTRIOL (English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PROQIPRRNZUXQM-ZMSHIADSSA-N

UniChem compound ID

1 reference

splash10-000i-0290000000-c1aaa2c05e9fd0323ef6

0 references

splash10-0a4i-2900000000-3b5302633684d0176de2

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DSSTox substance ID

1 reference

matched by identifier from

PROQIPRRNZUXQM-ZMSHIADSSA-N

DSSTOX compound identifier

DTXCID701324361

0 references

0 references

0 references

208-937-9

1 reference

Global Substance Registration System

language of work or name

epiestriol (English)

19 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Epiestriol (English)

CAS no.: 547-81-9 (English)

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PROQIPRRNZUXQM-ZMSHIADSSA-N

2 references

Global Substance Registration System

language of work or name

epiestriol (English)

19 November 2016

matched by identifier from

PROQIPRRNZUXQM-ZMSHIADSSA-N

Probes And Drugs ID

0 references

1 reference

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

30 June 2018

2 references

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

6 November 2021

matched by identifier from

PROQIPRRNZUXQM-ZMSHIADSSA-N

Google Knowledge Graph ID

0 references

Sitelinks

Wikipedia(5 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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