Estrone 3-methyl ether

Name: Estrone 3-methyl ether
SKU: ACM1624620
Rating: 5 (1 reviews)

CAS

1624-62-0

Catalog Number

ACM1624620

Category

Steroidal Compounds

Molecular Weight

284.39

Molecular Formula

C₁₉H₂₄O₂

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Specification

Synonyms

Estrone 3-methyl ether; 3-Methoxyestrone;

IUPAC Name

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

Canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC

InChI Key

BCWWDWHFBMPLFQ-VXNCWWDNSA-N

Boiling Point

427.4ºC at 760 mmHg

Melting Point

167.5-169.5ºC

Flash Point

183.6ºC

Density

1.103 g/cm³

Appearance

White crystalline powder

EC Number

216-613-3

Exact Mass

284.17800

Hazard Statements

Xn:Harmful;

Safety Description

S22-S36

What is the molecular formula of Estrone 3-methyl ether?

The molecular formula of Estrone 3-methyl ether is C19H24O2.

What is the molecular weight of Estrone 3-methyl ether?

The molecular weight of Estrone 3-methyl ether is 284.4 g/mol.

When was Estrone 3-methyl ether created and last modified?

Estrone 3-methyl ether was created on 2005-03-26 and last modified on 2023-11-25.

What is the IUPAC Name of Estrone 3-methyl ether?

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

What are some synonyms for Estrone 3-methyl ether?

Some synonyms for Estrone 3-methyl ether include Estrone methyl ether and Oestrone methyl ether.

What is the InChIKey for Estrone 3-methyl ether?

The InChIKey for Estrone 3-methyl ether is BCWWDWHFBMPLFQ-VXNCWWDNSA-N.

How many hydrogen bond acceptor count does Estrone 3-methyl ether have?

Estrone 3-methyl ether has 2 hydrogen bond acceptor count.

What is the topological polar surface area of Estrone 3-methyl ether?

The topological polar surface area of Estrone 3-methyl ether is 26.3Å².

How many defined atom stereocenter count does Estrone 3-methyl ether have?

Estrone 3-methyl ether has 4 defined atom stereocenter count.

What is the complexity value of Estrone 3-methyl ether?

The complexity value of Estrone 3-methyl ether is 431.