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4,5Alpha-Dihydro-2-(hydroxymethylene)testosterone

CAT: 0572-TRC-D451050-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D451050-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4033-95-8
Synonyms
5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one; 17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one; 2-(Hydroxymethylene)dihydrotestosterone; 17beta-Hydroxy-2-(hydroxymethylene)-5alpha-androstan-3-one; (5alpha,17beta)-17-hydroxy-2-(hydroxymethylene)-
Hazard Statement
No Data Available
Smiles
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C(=CO)C[C@]34C)[C@@H]1CC[C@@H]2O
Molecular Formula
C20H30O3
Molecular Weight
318.45
Shipping Conditions
Room Temperature

Chemical Information

(5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one
CAS Number4033-95-8
PubChem CID229799
IUPAC Name(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP4.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity553
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=CO)C(=O)C4)C
InChI
InChI=1S/C20H30O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h11,13-16,18,21,23H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKey
DKCLFTBKKHWBQS-YNZDMMAESA-N
Chemical Structure
2D Structure
2D structure of (5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one
CAS: 4033-95-8
CID: 229799
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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