(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-14-yl undec-10-enoate

• ChemBase编号: 797587
• 分子式: C30H44O3
• 平均质量: 452.66856
• 单一同位素质量: 452.32904527
• SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
• InChI: InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
• InChIKey: AHMMSNQYOPMLSX-CNQKSJKFSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-14-yl undec-10-enoate
• IUPAC传统名: boldenone undecylenate
• 别名: Boldenone undecylenate

登记号

• CAS号: 13103-34-9

理论计算性质

• Acid pKa: 18.863604
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.757469
• LogD (pH = 7.4): 7.757469
• Log P: 7.757469
• 摩尔折射率: 136.1536 cm^3
• 极化性: 53.196854 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%