CAS
90472-95-0 Purity
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90472-95-0 Purity
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2,4-Dibromo-17,17-ethylenedioxy-1,3,5(10)-estratriene-3,16alpha-diol
CAS
90474-20-7
Catalog Number
ACM90474207
Category
Other Products
Molecular Weight
488.21
Molecular Formula
C20H24Br2O4
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Specification
Appearance
Off-White Solid
What is the molecular formula of 2,4-Dibromo-17,17-ethylenedioxy-1,3,5(10)-estratriene-3,16alpha-diol?
The molecular formula is C20H24Br2O4.
When was the compound created and last modified in PubChem?
It was created on 2009-05-28 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is (8'R,9'S,13'S,14'S,16'R)-2',4'-dibromo-13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3',16'-diol.
What is the InChIKey of the compound?
The InChIKey is GUKVLVMQIYQXIM-IYFIKPEJSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation is CC12CCC3C(C1CC(C24OCCO4)O)CCC5=C(C(=C(C=C35)Br)O)Br.
What is the molecular weight of the compound?
The molecular weight is 488.2 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 58.9 Ų.
How many defined atom stereocenters does the compound have?
The compound has 5 defined atom stereocenters.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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