chempirical

17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one

C21H32O3CAS 434-07-1332.48 g/mol

Open in Covalent MOL file
OHOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H32O3
Molar mass
332.48 g/mol
Exact mass
332.2351 Da
Melting point
178–180 °C
logP
4.40Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0
Stereocentres
S, S, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
434-07-1
SMILES
C[C@]12CC(=CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChIKey
ICMWWNHDUZJFDW-IYRCEVNGSA-N
InChI
InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

31 names · show all
  • Androstan-3-one, 17-hydroxy-2-(hydroxymethylene)-17-methyl-, (5α,17β)-
  • 5α-Androstan-3-one, 17β-hydroxy-2-(hydroxymethylene)-17-methyl-
  • (5α,17β)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one
  • C.I. 406
  • Adroyd
  • Anadrol
  • Anapolon
  • Anasterone
  • 17-Beta-Hydroxy-2-hydroxymethylene-17-alpha-methyl-3-androstanone
  • HMD
  • 17β-Hydroxy-2-(hydroxymethylene)-17α-methyl-5α-androstan-3-one
  • 2-(Hydroxymethylene)-17-methyldihydrotestosterone
  • 2-Hydroxymethylene-17α-methyl-17β-hydroxy-3-androstanone
  • Nastenon
  • Oxymetholone
  • 2-Hydroxymethylene-17α-methylandrostan-17β-ol-3-one
  • 17α-Methyl-2-hydroxymethylene-17-hydroxy-5α-androstan-3-one
  • Oxymethenolone
  • 2-Hydroxymethylene-17β-hydroxy-17α-methyl-5α-androstan-3-one
  • Roboral
  • NSC-26198
  • Anasteron
  • Anasteronal
  • Becorel
  • Protanabol
  • Synasteron 50
  • Anapolan 50
  • Synasteron
  • Pardroyd
  • Plenastril
  • Hemogenin

Work with 17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mestanolone521-11-961 % similar 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one53-39-459 % similar Methasterone3381-88-258 % similar Methyl-1-testosterone65-04-353 % similar Oxymesterone145-12-044 % similar Stanozolol10418-03-843 % similar Methyltestosterone58-18-442 % similar Methandrostenolone72-63-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1R,2R,3As,9as)-2,3,3A,4,9,9A-hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[F]indene-2,5-diol101692-02-8 3β-Acetoxy-5α-androstan-17-one1239-31-2 [10]-Shogaol36752-54-2 17-Hydroxypregnenolone387-79-1

Elsewhere

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