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7-酮基去氢表雄酮醋酸酯 | 1449-61-2

7-酮基去氢表雄酮醋酸酯
Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3beta)-
1449-61-2
C21H28O4
344.4446
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7-酮基去氢表雄酮醋酸酯结构式
9798229
名称和标识符
MDL MFCD00198501
InChIKey VVSMJVQHDZUPIL-DETUAXERSA-N
Inchi 1S/C21H28O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,19H,4-10H2,1-3H3/t14-,15+,16+,19-,20-,21-/m0/s1
SMILES O=C1C([H])([H])C([H])([H])[C@@]2([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C3=C([H])C([C@]12[H])=O)OC(C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 7-酮基去氢表雄酮醋酸酯
  • 7-酮基醋酸去氢表雄酮
  • 7-酮基去氢表雄酮醋酸酯 1KG
- 英文别名 -
  • Androst-5-en-3-ol-7,17-dione acetate
  • 7,17-Dioxoandrost-5-en-3-yl acetate
  • 10,13-Dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
  • [(8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  • 3Beta-Acetoxyandrost-5-ene-7,17-dione
  • 7-keto DHEA acetate
  • 7-Keto Naturalean
  • 7-Oxo-dehydroepiandrosterone acetate
  • DEHYDROEPIANDROSTERONE, 3-ACETYL-7-OXO-(P)
  • 3-ACEDYL-7-KETO-DHEA
  • 3-ACETYL-7-KETO-DHEA
  • 3-ACETYL-7-OXO-DHEA
  • 5-Androsten-3--ol-7,17-dioneacetate
  • 7-KETO-DHEA
  • 7-OXO-DHA
  • Androst-5-en-7,17-dione,3b-acetyloxy
  • Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3beta)-
  • ANDROST-5-ENE-7,17-DIONE, 3.BETA.-HYDROXY-, ACETATE
  • 84RQ0XOM11
  • FD12038
  • 3.BETA.-ACETOXYANDROST-5-ENE-7,17-DIONE
  • 7-Oxodehydroepiandrosterone 3-acetate
  • Q27269545
  • AKOS027327297
  • 5-Androsten-3-beta-ol-7,17-dione acetate
  • 7-KETO-DEHYDROEPIANDROSTERONE ACETATE
  • Androst-5-ene-7,17-dione, 3beta-hydroxy-, acetate
  • 3beta-acetoxyandrost-5-en-7,17-dione
  • SCHEMBL4326991
  • CS-0028128
  • MFCD00198501
  • 7-Oxodehydroepiandrosterone acetate
  • 7-Oxo-dhea-acetate
  • 1449-61-2
  • PD063419
  • BCP10783
  • CHEMBL4303644
  • J793.891H
  • UNII-84RQ0XOM11
  • (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1,4-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
  • [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  • AS-67233
  • 7-KETO-DEHYDROEPIANDROSTERONE ACETATE [WHO-DD]
  • ANDROST-5-ENE-7,17-DIONE, 3-(ACETYLOXY)-, (3.BETA.)-
  • 5-Androsten-3beta-ol-7,17-dione acetate
  • VVSMJVQHDZUPIL-XFKPDKBWSA-N
  • 7-Keto naturalean
  • (3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-7,17-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
  • NSC-134911
  • 3beta-acetoxyandrost-5-ene-7,17-dione
  • 7,17-dioxoandrost-5-en-3-yl acetate
  • 7-OXO-DEHYDROEPIANDROSTERONE ACETATE
  • androst-5-en-3-ol-7,17-dione acetate
物化性质
实验特性
LogP 3.62900
PSA 60.44000
折射率 1.548
沸点 479.6 ºC at 760 mmHg
闪点 209.2ºC
颜色与性状 Powder
密度 1.17
计算特性
精确分子量 344.19900
氢键供体数量 0
氢键受体数量 4
可旋转化学键数量 2
同位素质量 344.199
重原子数量 25
复杂度 677
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.6
拓扑分子极性表面积 60.4
专业数据库参考
PubChemId 9798229
化合物详情(旧版)

SMILES

CC(=O)OC1CC2[C@@](CC1)(C)[C@@H]3[C@@H](C(=O)C=2)[C@H]4[C@@](CC3)(C)C(=O)CC4

960化工网为您提供7-酮基去氢表雄酮醋酸酯专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:1449-61-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:1449-61-2
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