Methasterone(CAS No. 3381-88-2)

Methasterone C21H34O2 (cas 3381-88-2) Molecular Structure

3381-88-2 Structure

Identification and Related Records

【Name】
Methasterone
【Iupac name】
(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,
7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
【CAS Registry number】
3381-88-2
【Synonyms】
2,17-Dimethyldihydrotestosterone
17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one
17a-Methyl-Drostanolone
(2R,5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Superdrol, Methasterone
【Molecular Formula】
C21H34O2 (Products with the same molecular formula)
【Molecular Weight】
318.4976
【Inchi】
InChI=1/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3
【Canonical SMILES】
CC1CC2(C(CCC3C2CCC4(C3CCC4(C)O)C)CC1=O)C
【Isomers smiles】
C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CC1=O)
C
【MOL File】
3381-88-2.mol

Chemical and Physical Properties

【Density】
1.04 g/cm3
【Boiling Point】
423.8 °C at 760 mmHg
【Refractive Index】
1.518
【Flash Point】
180.8 °C
【Computed Properties】
Molecular Weight:318.49346 [g/mol]
Molecular Formula:C21H34O2
XLogP3-AA:4.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:318.25588
MonoIsotopic Mass:318.25588
Topological Polar Surface Area:37.3
Heavy Atom Count:23
Formal Charge:0
Complexity:528
Isotope Atom Count:0
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Ring Count:4
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Specification】

?2,17-Dimethyldihydrotestosterone , its cas register number is 3381-88-2. It also can be called?2alpha,17alpha-Dimethyldihydrotestosterone .

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