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Lactoyl-CoA Triclocarban 133-53-9 88-04-0 β-Fructofuranosidase
  1. chem960
  2. 1474-10-8
Pregn-5-en-20-one,21-(acetyloxy)-3,17-dihydroxy-, (3b)- (9CI) | 1474-10-8
1474-10-8

Product Name：Pregn-5-en-20-one,21-(acetyloxy)-3,17-dihydroxy-, (3b)- (9CI)

CAS No：1474-10-8
MF：C23H34O5
MW：390.51306
CID：206364
PubChem ID：102132
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Names and Identifiers
  • Pregn-5-en-20-one,21-(acetyloxy)-3,17-dihydroxy-, (3b)- (9CI)
  • [2-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • 3-beta,17-alpha,21-trihydroxypregn-5-en-20-one 21-acetate
  • (3beta)-3,17-dihydroxy-20-oxopregn-5-en-21-yl acetate
  • 21-Acetoxy-3β,17α-dihydroxypregn-5-en-20-one
  • 1474-10-8
  • EINECS 216-015-2
  • 3,17-dihydroxy-20-oxopregn-5-en-21-yl acetate
  • NS00044955
  • 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate
  • DTXSID30933115
  • SCHEMBL10949227
  • InChIKey：PIGIYBRGSJKHQI-UHFFFAOYSA-N
  • Inchi：InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h4,16-19,25,27H,5-13H2,1-3H3
  • SMILES：CC(OCC(C1(CCC2C3CC=C4CC(CCC4(C)C3CCC12C)O)O)=O)=O
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 390.24072
  • 氢键供体数量: 2
  • 氢键受体数量: 5
  • 可旋转化学键数量: 4
  • 同位素质量: 390.24062418g/mol
  • 重原子数量: 28
  • 复杂度: 714
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 7
  • 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）: 3
  • 拓扑分子极性表面积: 83.8Ų

Experimental Properties

  • PSA: 83.83
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