3,3-[(2,2-Dimethylpropane-1,3-diyl)bis(oxy)]-17alpha-hydroxyestr-5(10)-ene-17-carbonitrile

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Catalog Number
ACM94291971
Product Name
3,3-[(2,2-Dimethylpropane-1,3-diyl)bis(oxy)]-17alpha-hydroxyestr-5(10)-ene-17-carbonitrile
Structure
Structure
CAS
94291-97-1
Category
Heterocyclic Organic Compound
Synonyms
EINECS 304-925-3, 3,3-((2,2-Dimethylpropane-1,3-diyl)bis(oxy))-17alpha-hydroxyestr-5(10)-ene-17-carbonitrile, 94291-97-1
IUPAC Name
(8R,9S,13S,14S,17R)-17-hydroxy-5,5,13-trimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2-1,3-dioxane]-17-carbonitrile
Molecular Weight
385.539600 [g/mol]
Molecular Formula
C24H35NO3
Canonical SMILES
CC1(COC2(CCC3=C(C2)CCC4C3CCC5(C4CCC5(C#N)O)C)OC1)C
InChI Key
VHPYGHVYPBYDMS-IDNQLYMWSA-N
EC Number
304-925-3
Exact Mass
385.26200
H-Bond Acceptor
4
H-Bond Donor
1
MSDS
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COA
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Spec Sheet
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