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17beta-Hydroxy-17alphalpha-methyl-5alpha-estran-3-one

CAT: 0572-TRC-H955070-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H955070-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6424-04-0
Hazard Statement
No Data Available
Smiles
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
Molecular Formula
C19 H30 O2
Molecular Weight
290.44
InChI
InChI=1S/C19H30O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15+,16+,17-,18-,19-/m0/s1
Additionnal Information
IUPAC name: (5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature

Chemical Information

17beta-Hydroxy-17alpha-methyl-5alpha-estran-3-one
CAS Number6424-04-0
PubChem CID22792507
IUPAC Name(5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC19H30O2
Molecular Weight290.4
XLogP3.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity458
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@H]3CCC(=O)C4
InChI
InChI=1S/C19H30O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15+,16+,17-,18-,19-/m0/s1
InChIKey
MDXRCPMWSFWIEZ-MOVWYJJTSA-N
Chemical Structure
2D Structure
2D structure of 17beta-Hydroxy-17alpha-methyl-5alpha-estran-3-one
CAS: 6424-04-0
CID: 22792507
Formula: C19H30O2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass290.224580195
Monoisotopic Mass290.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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AAA57124-0117Alpha-Hydroxy-5alpha-androstan-3-one
MBS6118222-013-O-Methyl 6-Hydroxy 17beta-Estradiol
CS-I-000485alpha-Androstane-3alpha,17beta-diol
W-105485-01(3beta,5alpha,17beta) -Androstane-3,17-diol
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