(Q27132235)

17beta-Dihydroequilin (English)

7 October 2016

chemical formula

C₁₈H₂₂O₂

1 reference

17beta-Dihydroequilin (English)

20 November 2016

canonical SMILES

CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O

1 reference

17beta-Dihydroequilin (English)

20 November 2016

isomeric SMILES

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

1 reference

17beta-Dihydroequilin (English)

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1

20 November 2016

Identifiers

InChI

1 reference

17beta-Dihydroequilin (English)

NLLMJANWPUQQTA-UBDQQSCGSA-N

20 November 2016

InChIKey

2 references

17beta-Dihydroequilin (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

3563-27-7

2 references

Unique Ingredient Identifier

β-dihydroequilin (English)

NLLMJANWPUQQTA-UBDQQSCGSA-N

20 November 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=3563-27-7

1 reference

Dihydroequilin (English)

20 November 2016

1 reference

17beta-Dihydroequilin (English)

20 November 2016

Reaxys registry number

3034482

1 reference

7,8-didehydro-17beta-estradiol (English)

7 October 2016

ChEBI ID

62851

mapping relation type

1 reference

CHEMBL121458 (English)

20 November 2016

1 reference

CHEMBL121458 (English)

DSSTOX compound identifier

20 November 2016

DSSTox substance ID

DTXSID40871892

0 references

0 references

0 references

222-633-3

1 reference

Unique Ingredient Identifier

β-dihydroequilin (English)

ECHA Substance Infocard ID

20 November 2016

100.020.576

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.576

27 December 2018

Estra-1,3,5(10),7-tetraene-3,17β-diol (English)

quotation

CAS no.: 3563-27-7 (English)

1 reference

Unique Ingredient Identifier

β-dihydroequilin (English)

20 November 2016

1 reference

7,8-didehydro-17beta-estradiol (English)