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(3beta)-3-[(1-Ethoxyethyl)oxy]pregn-5-en-20-one

HCID 54547839
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1
InChIKey
ZHUNGNNFNBAWJX-NOYLAENPSA-N
Molecular formula
C25H40O3
Average molar mass
388.6 g/mol

Names & identifiers

Preferred name
(3beta)-3-[(1-Ethoxyethyl)oxy]pregn-5-en-20-one
IUPAC
1-[(3S,8S,9S,10R,13S,14S,17S)-3-(1-ethoxyethoxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Names & synonyms

SCHEMBL7698269ZHUNGNNFNBAWJX-NOYLAENPSA-N(3beta)-3-[(1-ethoxyethyl)oxy]pregn-5-en-20-one

Database identifiers

PubChem CID
54547839

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
640

Related reactions

4 records
New reaction record
HRID 1069049 reaction equation
HRID 1069049As productuspto-grants-2001_06
HRID 1069050 reaction equation
HRID 1069050As reactantuspto-grants-2001_06
HRID 1385614 reaction equation
HRID 1385614As productuspto-grants-2001_07
HRID 1385615 reaction equation
HRID 1385615As reactantuspto-grants-2001_07

Compound notes

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