Estrone acetate

CAS

901-93-9

Catalog Number

ACM901939

Category

Steroidal Compounds

Molecular Weight

312.4

Molecular Formula

C₂₀H₂₄O₃

MSDS COA Spec Sheet

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Specification

Synonyms

oestrone Acetate; 3-ACETOXYESTRONE; acetoxyestrone; 3-Hydroxyestra-1,3,5(10)-17-one acetate; Hogival; 3-O-acetyl-estrone; Oestrone-3-acetate; Estrone 3-acetate; 3-Acetoxy-17-oxo-estra-1,3,5(10)-triene; 3-acetoxy-1,3,5(10)-estratrien-17-one; puboestrene; 3-Acetoxyestrone R;

IUPAC Name

ESTRONE ACETATE

Boiling Point

454.2ºC at 760mmHg

Flash Point

199.4ºC

Density

1.151g/cm³

Exact Mass

312.17300

What is the molecular formula of estrone acetate?

The molecular formula of estrone acetate is C20H24O3.

What is the molecular weight of estrone acetate?

The molecular weight of estrone acetate is 312.4 g/mol.

What is the IUPAC name of estrone acetate?

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

What is the InChI of estrone acetate?

The InChI of estrone acetate is InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1.

What is the InChIKey of estrone acetate?

The InChIKey of estrone acetate is KDPQTPZDVJHMET-XSYGEPLQSA-N.

What is the canonical SMILES of estrone acetate?

The canonical SMILES of estrone acetate is CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4=O)C.

What is the CAS number of estrone acetate?

The CAS number of estrone acetate is 901-93-9.

What is the EC number of estrone acetate?

The EC number of estrone acetate is 635-858-0.

What is the ChEMBL ID of estrone acetate?

The ChEMBL ID of estrone acetate is CHEMBL1627997.

What is the molecular weight and XLogP3 value of estrone acetate?

The molecular weight of estrone acetate is 312.4 g/mol and the XLogP3 value is 3.2.