3-Oxoandrost-4-en-17-yl heptanoate

HCID 5409
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Basic information

Standard SMILES
CCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
InChIKey
VOCBWIIFXDYGNZ-UHFFFAOYSA-N
Molecular formula
C26H40O3
Average molar mass
400.6 g/mol
Monoisotopic mass
400.29774513

Names & identifiers

Preferred name
3-Oxoandrost-4-en-17-yl heptanoate
IUPAC
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) heptanoate

Names & synonyms

RefChem:1068428DTXCID00810727DTXSID308618683-Oxoandrost-4-en-17-yl heptanoateSCHEMBL18437534

Database identifiers

PubChem CID
5409

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
29

Related reactions

1 records
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Linked notes

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