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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
130447-37-9
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S)- | 130447-37-9
Product Name:1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S)-
CAS No:
130447-37-9
MF:C26H44O3
MW:404.62576
CID:152263
PubChem ID:
9547326
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Basic Information
Names and Identifiers
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S)-
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
1,25-dihydroxy-19-norvitamin D3
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-...
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethyl
19-NORCALCITROL
(7E)-(1R,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol
19-Nor-22(E)
19-Nor-9,10-secocholesta-5,7-diene-1,3,25-triol, (1alpha,3beta,7E)-
1alpha,25-(OH)2-19-Nor-vitamin D3
1alpha,25-dihydroxy-19-norcholecalciferol
1alpha,25-dihydroxy-19-norvitamin D3
20-Epi-19-nor-1,25-(OH)2 D3
CHEMBL119386
Ro 27-5256
1,3-cis-25-Dihydroxy-19-norvitamin D3
LMST03020074
1alpha,25-dihydroxy-19-norvitamin D3 / 1alpha,25-dihydroxy-19-norcholecalciferol
UNII-K5ZM856PSA
SCHEMBL12047912
130447-37-9
19-NOR-1.ALPHA.,25-DIHYDROXYVITAMIN D3
PKFBWEUIKKCWEW-WEZTXPJVSA-N
1,25-Dihydroxy-19-norvitamin D3
K5ZM856PSA
19-Nor-vitamin D
1,3-CYCLOHEXANEDIOL, 5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-1-((1R)-5-HYDROXY-1,5-DIMETHYLHEXYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3S)-
19-Norcalcitrol
展開
InChIKey:PKFBWEUIKKCWEW-WEZTXPJVSA-N
Inchi:InChI=1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24+,26-/m1/s1
SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@H](C[C@@H](C3)O)O)/CCC[C@]12C
Chemical and Physical Properties
Computed Properties
精确分子量: 404.329045
氢键供体数量: 3
氢键受体数量: 3
可旋转化学键数量: 6
同位素质量: 404.329045
重原子数量: 29
复杂度: 607
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: 1
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): 5.2
拓扑分子极性表面积: 60.7
Experimental Properties
LogP: 5.53860
PSA: 60.69000
折射率: 1.603
沸点: 552°C at 760 mmHg
闪点: 234.1°C
密度: 1.121
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