(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl (2H19)decanoate

• ChemBase编号: 174955
• 分子式: C28H44O3
• 平均质量: 428.64716
• 单一同位素质量: 428.32904527
• SMILES: C1CC(=O)C=C2[C@H]1[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
• InChI: InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1
• InChIKey: JKWKMORAXJQQSR-MOPIKTETSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl (^2H₁₉)decanoate
• IUPAC传统名: (1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl (^2H₁₉)decanoate
• 别名: Anabolicum-d19; Anabolin Forte-d19; Deca-Durabol-d19; Deca-Durabolin-d19; Deca-Hybolin-d19; Decanofort-d19; Extraboline-d19; Hybolin Decanoate-d19; Nandrobolic LA-d19; Norandrostenolone Decanoate-d19; Nortestosterone Decanoate-d19; Retabolil-d19; Nandrolone Decanoate-d19; 17β-Hydroxy-19-norandrost-4-en-3-one 17-Decanoate-d19; 17β-Hydroxyestr-4-en-3-one 17-Decanoate-d19; 17β-Hydroxyestr-4-en-3-one Decanoate-d19; 17β-Nandrolone laureate-d19; 17β-Nortestosterone laureate-d19; 19-Nor-17β-hydroxy-3-ketoandrost-4-ene 17-Decanoate-d19; 19-Norandrostenolone Decanoate-d19; 19-Nortestosterone 17β-Decanoate-d19; 19-Nortestosterone Decanoate-d19

登记号

• PubChem SID: 164230865
• PubChem CID: 71750927

理论计算性质

• Acid pKa: 19.278885
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.319018
• LogD (pH = 7.4): 7.319018
• Log P: 7.319018
• 摩尔折射率: 125.9401 cm^3
• 极化性: 49.98545 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - N315022

Labelled analogue of Nandrolone Decanoate, an anabolic steroid. Nandrolone decanoate is used in the treatment of osteoporosis in postmenopausal women. Nandrolone Decanoate is also used for some aplastic anemias. Controlled Substance.

参考文献

• Dhem, A. et al.: Curr. Med. Res. Opin., 6, 606 (1980)
• Lippi, G. et al.: Scand. J. Clin. Lab. Invest., 57, 507 (1980)
• Frisoli, A. et al.: J. Gerontol. Ser. A Biol. Sci. Med. Sci., 60A, 648 (1980)
• Sheashaa, H. et al.: Nephron, 99, c102 (1980)