Quinestrol

CAS

152-43-2

Catalog Number

ACM152432

Category

Steroidal Compounds

Molecular Weight

364.52

Molecular Formula

C₂₅H₃₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

Quinestrol; 17α-Ethynylestradiol 3-Cyclopentyl Ether; (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol;

IUPAC Name

(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Canonical SMILES

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5

InChI Key

PWZUUYSISTUNDW-VAFBSOEGSA-N

Boiling Point

502.5ºC at 760 mmHg

Melting Point

107 - 108ºC

Flash Point

218.8ºC

Density

1.15 g/cm³

Appearance

crystals

EC Number

205-803-1

Exact Mass

364.24000

Hazard Statements

T:Toxic;

Safety Description

S53-S22-S36/37/39-S45

Stability

Stable at normal temperatures and pressures.

WGK Germany

What is the molecular formula of quinestrol?

The molecular formula of quinestrol is C25H32O2.

What is the molecular weight of quinestrol?

The molecular weight of quinestrol is 364.5 g/mol.

What is the IUPAC name of quinestrol?

The IUPAC name of quinestrol is (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.

What is the InChI of quinestrol?

The InChI of quinestrol is InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1.

What is the InChIKey of quinestrol?

The InChIKey of quinestrol is PWZUUYSISTUNDW-VAFBSOEGSA-N.

What is the canonical SMILES of quinestrol?

The canonical SMILES of quinestrol is CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5.

What is the CAS number of quinestrol?

The CAS number of quinestrol is 152-43-2.

What is the UNII of quinestrol?

The UNII of quinestrol is JR0N7XD5GZ.

What is the ChEMBL ID of quinestrol?

The ChEMBL ID of quinestrol is CHEMBL1201165.

What is the Wikipedia page for quinestrol?

The Wikipedia page for quinestrol is "Quinestrol".