(10S,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-1,6,16-trien-5-one

• ChemBase ID: 178838
• Molecular Formular: C18H22O2
• Molecular Mass: 270.36608
• Monoisotopic Mass: 270.16197994
• SMILES: C1C(=O)C=C2C(=C3[C@@H](CC2)[C@H]2[C@](C=C3)([C@@H](CC2)O)C)C1
• Canonical SMILES: O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@H]4O)C
• InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17-,18+/m1/s1
• InChIKey: MEHHPFQKXOUFFV-XDNAFOTISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10S,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,6,16-trien-5-one
• IUPAC Traditional name: (10S,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,6,16-trien-5-one
• Synonyms: (17α)-17-Hydroxy-estra-4,9,11-trien-3-one; 17-Epitrenbolone; Epitrenbolone; α-Trenbolone; 17α-Trenbolone

Database IDs

• CAS Number: 80657-17-6
• PubChem SID: 164234748
• PubChem CID: 149836

CALCULATED PROPERTIES

• Acid pKa: 18.903545
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2542171
• LogD (pH = 7.4): 2.2542171
• Log P: 2.2542171
• Molar Refractivity: 81.6547 cm^3
• Polarizability: 30.937777 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Pale Brown Solid
• Melting Point: 49-51°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - T718990

Controlled substance (anabolic steroid). A prohormone of Trenbolone (T719000).

REFERENCES

• Schanzer, W., et al.: Clin. Chem., 42, 1001 (1996)
• Kicman, A., et al.: Br. J. Pharmacol., 154, 502 (1996)
• Fragkaki, A., et al.: Steroids, 74, 172 (1996)