(1S,2S,7S,10R,11S,14R,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl acetate

• ChemBase ID: 160634
• Molecular Formular: C21H32O3
• Molecular Mass: 332.47698
• Monoisotopic Mass: 332.23514488
• SMILES: C1C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H](CC2)OC(=O)C)C)C
• Canonical SMILES: CC(=O)O[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2
• InChI: InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17-,18-,19+,20-,21-/m0/s1
• InChIKey: ILCTUFVQFCIIDS-VIMRINFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,7S,10R,11S,14R,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-yl acetate
• IUPAC Traditional name: (1S,2S,7S,10R,11S,14R,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-yl acetate
• Synonyms: 5α-Dihydrotestosterone Acetate; Androstanolone Acetate; Dihydrotestosterone Acetate; NSC 73107; Stanolone Acetate; 17-O-Acetyldihydrotestosterone; 17β-Acetoxy-5α-androstan-3-one; 17β-Hydroxy-5α-androstan-3-one Acetate; 3-Oxo-5α-androstan-17β-yl Acetate; 5α-Androstan-17β-ol-3-one Acetate; Androstanolone Acetate

Database IDs

• CAS Number: 1164-91-6
• PubChem SID: 162254769
• PubChem CID: 1789782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8523831
• LogD (pH = 7.4): 3.8523831
• Log P: 3.8523831
• Molar Refractivity: 92.7546 cm^3
• Polarizability: 37.32811 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - A637615

Anabolic steroid.

REFERENCES

• Schneider, M., et al.: J. Biotechnol., 46, 161 (1996)
• Bao, S., et al.: Biol. Reprod., 62, 616 (1996)
• Imamura, T., et al.: J. Biol. Chem., 280, 20171 (1996)