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11-Beta-hydroxyandrostenedione

CAT: 0127-BUP13208-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13208-01Size:5 mg
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CAS Number
382-44-5
Synonyms
NSC-17102, 4-Androsten-11ß-ol-3,17-dione
Purity
=98%
Smiles
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O

Chemical Information

11beta-Hydroxyandrost-4-ene-3,17-dione

11beta-hydroxyandrost-4-ene-3,17-dione is a 17-oxo steroid, an 11beta-hydroxy steroid, a 3-oxo steroid and an androstanoid. It has a role as a mouse metabolite and a human metabolite.

CAS Number382-44-5
PubChem CID94141
IUPAC Name(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC19H26O3
Molecular Weight302.4
XLogP1.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity577
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O
InChI
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
InChIKey
WSCUHXPGYUMQEX-KCZNZURUSA-N
Chemical Structure
2D Structure
2D structure of 11beta-Hydroxyandrost-4-ene-3,17-dione
CAS: 382-44-5
CID: 94141
Formula: C19H26O3
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass302.18819469
Monoisotopic Mass302.18819469
Topological Polar Surface Area54.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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