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3-Oxoestr-4-en-17-yl 3-phenylpropanoate

HCID 4435
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
114949-22-3
Standard SMILES
CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2OC(=O)CCc1ccccc1
InChIKey
UBWXUGDQUBIEIZ-UHFFFAOYSA-N
Molecular formula
C27H34O3
Average molar mass
406.6 g/mol
Monoisotopic mass
406.25079494

Overview

See also: Nandrolone Phenylpropionate (annotation moved to); Nandrolone phenylproprionate (annotation moved to).

Names & identifiers

Preferred name
3-Oxoestr-4-en-17-yl 3-phenylpropanoate
IUPAC
(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-phenylpropanoate

Names & synonyms

3-Oxoestr-4-en-17-yl 3-phenylpropanoateRefChem:1068432DTXCID70209301DTXSID60859051Activins104625-48-1NandrobolicStraboleneActivin(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-phenylpropanoateNerobilEstr-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17.beta.)-
Show more names
Nandroloni phenylpropionasDurabol17.beta.-Phenylpropionyloxy-4-estrene-3-one17-.beta.-hydroxyestr-4-en-3-one hydrocinnamateorb1219650orb1298695CHEMBL1357160SCHEMBL29396630

Database identifiers

CAS
114949-22-3
PubChem CID
4435
ChEMBL
CHEMBL1357160

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
703

Related reactions

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Compound notes

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