(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl 3-cyclopentylpropanoate

• ChemBase ID: 797594
• Molecular Formular: C27H40O3
• Molecular Mass: 412.6047
• Monoisotopic Mass: 412.29774514
• SMILES: C(=O)(CCC1CCCC1)O[C@@H]1[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC1
• Canonical SMILES: O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCC1CCCC1
• InChI: InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1
• InChIKey: HPFVBGJFAYZEBE-ZLQWOROUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl 3-cyclopentylpropanoate
• IUPAC Traditional name: testosterone cypionate
• Synonyms: Testosterone cypionate

Database IDs

• CAS Number: 58-20-8

CALCULATED PROPERTIES

• Acid pKa: 19.086855
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1086526
• LogD (pH = 7.4): 6.1086526
• Log P: 6.1086526
• Molar Refractivity: 119.3586 cm^3
• Polarizability: 47.410328 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%