3-O-Methyl Estrone 17-(Ethanediyl Ketal)

HCID 13831790
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Basic information

Standard SMILES
COc1ccc2c(c1)CCC1C2CCC2(C)C1CCC21OCCO1
InChIKey
ZYEPWFOAZRKWFN-UHFFFAOYSA-N
Molecular formula
C21H28O3
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
3-O-Methyl Estrone 17-(Ethanediyl Ketal)
IUPAC
3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]

Names & synonyms

3-O-Methyl Estrone 17-(Ethanediyl Ketal)28336-29-0

Database identifiers

PubChem CID
13831790

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
24

Related reactions

1 records
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Linked notes

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