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17a-Benzoyloxy Testosterone

CAT: 0572-TRC-T555010-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T555010-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36025-82-8
Synonyms
(17alpha)-17-(Benzoyloxy)androst-4-en-3-one
Hazard Statement
No Data Available
Smiles
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2OC(=O)c5ccccc5
Molecular Formula
C26H32O3
Molecular Weight
392.53
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(17alpha)-17-(Benzoyloxy)androst-4-en-3-one
CAS Number36025-82-8
PubChem CID13489319
IUPAC Name[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate
Molecular FormulaC26H32O3
Molecular Weight392.5
XLogP5.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity717
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C
InChI
InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23+,25-,26-/m0/s1
InChIKey
RZJSCADWIWNGKI-PDVSWFIFSA-N
Chemical Structure
2D Structure
2D structure of (17alpha)-17-(Benzoyloxy)androst-4-en-3-one
CAS: 36025-82-8
CID: 13489319
Formula: C26H32O3
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass392.23514488
Monoisotopic Mass392.23514488
Topological Polar Surface Area43.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity717
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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