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2Beta-Hydroxy Testosterone 2,17-Diacetate

CAT: 0572-TRC-H956730-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H956730-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21936-10-7
Synonyms
2beta,17beta-Diacetoxy-4-androsten-3-one; Androst-4-ene-2beta,17beta-diol-3-one Diacetate
Hazard Statement
No Data Available
Smiles
CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@H]4[C@@H]3CCC2=CC1=O)OC(=O)C
Molecular Formula
C23H32O5
Molecular Weight
388.5
Shipping Conditions
Room Temperature

Chemical Information

2b-Hydroxy Testosterone 2,17-Diacetate
CAS Number21936-10-7
PubChem CID71749292
IUPAC Name[(2R,8R,9S,10R,13S,14S,17R)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H32O5
Molecular Weight388.5
XLogP3.9
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity739
SMILES
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)C)C
InChI
InChI=1S/C23H32O5/c1-13(24)27-20-12-23(4)15(11-19(20)26)5-6-16-17-7-8-21(28-14(2)25)22(17,3)10-9-18(16)23/h11,16-18,20-21H,5-10,12H2,1-4H3/t16-,17-,18-,20+,21+,22-,23-/m0/s1
InChIKey
XEXPFKWHLWMBQT-OLLSANEXSA-N
Chemical Structure
2D Structure
2D structure of 2b-Hydroxy Testosterone 2,17-Diacetate
CAS: 21936-10-7
CID: 71749292
Formula: C23H32O5
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass388.22497412
Monoisotopic Mass388.22497412
Topological Polar Surface Area69.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity739
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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