(15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione

• ChemBase编号: 120169
• 分子式: C18H24O2
• 平均质量: 272.38196
• 单一同位素质量: 272.17763001
• SMILES: [C@@]12(C(C3C(C4C(=CC(=O)CC4)CC3)CC2)CCC1=O)C
• Canonical SMILES: O=C1CCC2C(=C1)CCC1C2CC[C@]2(C1CCC2=O)C
• InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13?,14?,15?,16?,18-/m0/s1
• InChIKey: JRIZOGLBRPZBLQ-LVQHMEKZSA-N

名称和登记号

名称

• IUPAC标准名: (15S)-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-ene-5,14-dione
• IUPAC传统名: (15S)-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-ene-5,14-dione
• 别名: (13S)-13-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione; delta4-Estrene-3,17-dione; 19-N-Andro; Bolandione; Norandrostenedione-19

登记号

• CAS号: 734-32-7
• PubChem SID: 162214522
• PubChem CID: 10221133

理论计算性质

• Acid pKa: 19.19337
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.6289039
• LogD (pH = 7.4): 3.6289039
• Log P: 3.6289039
• 摩尔折射率: 79.1324 cm^3
• 极化性: 30.86945 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

药理学性质

• 生物活性机理: 19-Norandrostenedione is not metabolized to testosterone.; 19-Norandrostenedione may be metabolized to 19-nortestosterone in both men and women. 19-Norandrostenedione,; also known as nandrolone, is the basic substance of some very popular injectable anabolic steroids.; Androgen; Whether increases in 19-nortestosterone levels that may be produced by taking oral 19-norandrostenedione; would be sustained long enough to show increase in nitrogen retention and muscle strength and mass is unknown

产品相关信息

• 生物来源: Semisynth. steroid prod. from estr-4-ene-17a-ol-3-one by incubating with Corynebacterium simplex
• 应用领域: 19-Norandrostenedione refers to two steroid isomers that are marketed as dietary supplements and mainly used by body builders; Androgen