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Testosterone 17-Isocaproate

CAT: 0572-TRC-T155085-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T155085-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15262-86-9
Synonyms
Testosterone, 4-methylvalerate (6CI,8CI); Valeric acid, 4-methyl-, ester with testosterone (8CI); NSC 26641; Testosterone 17-isocaproate; Testosterone 4-methylpentanoate; Testosterone isocaproate; Androst-4-en-3-one, 17-[(4-methyl-1-oxopentyl)oxy]-, (17beta)-; (17beta)-17-[(4-Methyl-1-oxopentyl)oxy]androst-4-en-3-one; 3-Oxoandrost-4-en-17beta-yl isocaproate
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C25 H38 O3
Molecular Weight
386.57
InChI
InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
Additionnal Information
IUPAC name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Testosterone Isocaproate

Testosterone isocaproate is a steroid ester.

CAS Number15262-86-9
PubChem CID231084
IUPAC Name[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate
Molecular FormulaC25H38O3
Molecular Weight386.6
XLogP5.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity677
SMILES
CC(C)CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKey
PPYHLSBUTAPNGT-BKWLFHPQSA-N
Chemical Structure
2D Structure
2D structure of Testosterone Isocaproate
CAS: 15262-86-9
CID: 231084
Formula: C25H38O3
MW: 386.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.6
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass386.28209507
Monoisotopic Mass386.28209507
Topological Polar Surface Area43.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity677
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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