estratetraenol (Q5401785)

Estra-1,3,5(10),16-tetraen-3-ol (English)

7 October 2016

chemical formula

C₁₈H₂₂O

1 reference

Estra-1,3,5(10),16-tetraen-3-ol (English)

19 November 2016

canonical SMILES

CC12CCC3C(C1CC=C2)CCC4=C3C=CC(=C4)O

1 reference

Estra-1,3,5(10),16-tetraen-3-ol (English)

19 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=C3C=CC(=C4)O

1 reference

Estra-1,3,5(10),16-tetraen-3-ol (English)

InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h2,5,7,9,11,15-17,19H,3-4,6,8,10H2,1H3/t15-,16-,17+,18+/m1/s1

19 November 2016

Commons category

Estratetraenol

0 references

Identifiers

InChI

1 reference

Estra-1,3,5(10),16-tetraen-3-ol (English)

19 November 2016

2 references

Estra-1,3,5(10),16-tetraen-3-ol (English)

Global Substance Registration System

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1150-90-9

2 references

stated in

UNII

4QD0FTG3VT

https://commonchemistry.cas.org/detail?cas_rn=1150-90-9

estratetraenol (English)

19 November 2016

6 April 2021

1 reference

Estratetraenol (English)

19 November 2016

2 references

Estra-1,3,5(10),16-tetraen-3-ol (English)

19 November 2016

Reaxys registry number

3208540

1 reference

16-estratetraen-3-ol (English)

7 October 2016

ChEBI ID

62849

mapping relation type

2 references

CHEMBL1080216 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h2,5,7,9,11,15-17,19H,3-4,6,8,10H2,1H3/t15-,16-,17+,18+/m1/s1

1 reference

CHEMBL1080216 (English)

19 November 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

4QD0FTG3VT

estratetraenol (English)

19 November 2016