3-Hydroxy-5beta-estran-17-one ethylene ketal

HCID 86760179
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Basic information

Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(O)CC[C@@H]43)[C@@H]1CCC21OCCO1
InChIKey
KBZIPQFNGBGVHE-RIRILMJCSA-N
Molecular formula
C20H32O3
Average molar mass
320.5 g/mol

Names & identifiers

Preferred name
3-Hydroxy-5beta-estran-17-one ethylene ketal
IUPAC
(5'R,8'R,9'R,10'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,17'-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene]-3'-ol

Names & synonyms

KBZIPQFNGBGVHE-RIRILMJCSA-N3-hydroxy-5beta-estran-17-one ethylene ketal

Database identifiers

PubChem CID
86760179

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
23

Related reactions

1 records
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Linked notes

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