estradiol phenylpropionate (Q24897936)

Estradiol-17-phenylpropionate (English)

6 October 2016

chemical formula

C₂₇H₃₂O₃

1 reference

Estradiol-17-phenylpropionate (English)

19 November 2016

canonical SMILES

CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O

1 reference

Estradiol-17-phenylpropionate (English)

19 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O

1 reference

Estradiol-17-phenylpropionate (English)

InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1

19 November 2016

Identifiers

InChI

1 reference

Estradiol-17-phenylpropionate (English)

LQWSQQKTZLDGME-RYIFMDQWSA-N

19 November 2016

InChIKey

2 references

Estradiol-17-phenylpropionate (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

26443-03-8

2 references

Global Substance Registration System

estradiol phenylpropionate (English)

LQWSQQKTZLDGME-RYIFMDQWSA-N

19 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=26443-03-8

1 reference

Estra-1,3,5(10)-triene-3,17beta-diol 17-benzenepropionate (English)

19 November 2016

1 reference

Estradiol-17-phenylpropionate (English)

19 November 2016

ChEBI ID

34746

mapping relation type

1 reference

CHEMBL1974118 (English)

19 November 2016

1 reference

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

CHEMBL1974118 (English)

19 November 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

247-690-1

1 reference

Global Substance Registration System

estradiol phenylpropionate (English)

ECHA Substance Infocard ID

19 November 2016

100.043.340

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.043.340

27 December 2018

Estra-1,3,5(10)-triene-3,17β-diol 17-(benzenepropionate) (English)

quotation

CAS no.: 26443-03-8 (English)

1 reference

Global Substance Registration System

estradiol phenylpropionate (English)

19 November 2016

0 references

1 reference

Estradiol-17-phenylpropionate (English)