Structure

Mestranol

CAS
72-33-3
Catalog Number
ACM72333
Category
Steroidal Compounds
Molecular Weight
310.43
Molecular Formula
C21H26O2

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Specification

Synonyms
EE3ME; RS 1044; Norquen; d-MVE; Mestranol; SC 4725; 17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether; Ovastol; Devocin;
IUPAC Name
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-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)OC
InChI Key
IMSSROKUHAOUJS-MJCUULBUSA-N
Boiling Point
464.1ºC at 760 mmHg
Melting Point
150-154ºC
Flash Point
224.1ºC
Density
0.905g/cm³
Appearance
crystalline solid
EC Number
200-777-8
Exact Mass
310.19300
Hazard Statements
Xn: Harmful;
Safety Description
22-26-36/37/39-45-36/37
WGK Germany
3
What is the PubChem CID for mestranol?

PubChem CID 6291.

What is the chemical formula for mestranol?

The chemical formula for mestranol is C21H26O2.

What is the molecular weight of mestranol?

The molecular weight of mestranol is 310.4 g/mol.

What is the IUPAC Name of mestranol?

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

What is the InChIKey of mestranol?

The InChIKey of mestranol is IMSSROKUHAOUJS-MJCUULBUSA-N.

What is the canonical SMILES of mestranol?

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

What is the CAS number of mestranol?

The CAS number of mestranol is 72-33-3.

What is the European Community (EC) number of mestranol?

The European Community (EC) number of mestranol is 200-777-8.

What is the ChEMBL ID of mestranol?

The ChEMBL ID of mestranol is CHEMBL1201151.

What is the XLogP3 value of mestranol?

The XLogP3 value of mestranol is 4.

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