Estrone, acetate

HCID 3273
NotesReactions
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Basic information

Standard SMILES
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12
InChIKey
KDPQTPZDVJHMET-UHFFFAOYSA-N
Molecular formula
C20H24O3
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
Estrone, acetate
IUPAC
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate

Names & synonyms

Estrone, acetate(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetateDivK1c_000518CHEMBL5485679SCHEMBL20006536HMS501J20KBio1_000518NINDS_000518AKOS030240929IDI1_000518DB-057187

Database identifiers

PubChem CID
3273
ChEMBL
CHEMBL5485679

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
23

Related reactions

1 records
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Compound notes

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