(1S,2S,7S,10R,11S,14S,15S)-2,14,15-trimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.02,7.011,15]heptadecan-5-one

• ChemBase ID: 179252
• Molecular Formular: C23H40O2Si
• Molecular Mass: 376.648
• Monoisotopic Mass: 376.27975705
• SMILES: C1C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@](CC2)(C)O[Si](C)(C)C)C)C
• Canonical SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O[Si](C)(C)C)C)C
• InChI: InChI=1S/C23H40O2Si/c1-21-12-9-17(24)15-16(21)7-8-18-19(21)10-13-22(2)20(18)11-14-23(22,3)25-26(4,5)6/h16,18-20H,7-15H2,1-6H3/t16-,18+,19-,20-,21-,22-,23-/m0/s1
• InChIKey: DVEUJDWURSKKQN-PDFLQEANSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,7S,10R,11S,14S,15S)-2,14,15-trimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-one
• IUPAC Traditional name: (1S,2S,7S,10R,11S,14S,15S)-2,14,15-trimethyl-14-[(trimethylsilyl)oxy]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-one
• Synonyms: (5α,17β)-17-Methyl-17-[(trimethylsilyl)oxy]androstan-3-one; 17-O-Trimethylsilyl Mestanolone

Database IDs

• CAS Number: 145760-86-7
• PubChem SID: 164235162
• PubChem CID: 71752838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.847
• LogD (pH = 7.4): 5.847
• Log P: 5.847
• Molar Refractivity: 104.3672 cm^3
• Polarizability: 43.875275 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

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

DETAILS

Toronto Research Chemicals - T796840

Protected Mestanolone, an anabolic steroid.

REFERENCES

• Schaenzer, W., et al.: Steroids, 57, 537 (1992)