2-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
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![2-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/679f6e2ade894bea8f62aa824ed9cbb8.png "2-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one")
2-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
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CAS No:
62743-72-0
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Formula:
C26H42O2
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Chemical Name:
2-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
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Synonyms:
19-NK-VD3;19-nor-10-ketovitamin D3;5(E)-19-nor-10-ketocholecalciferol;62743-72-0;19-NK-VD3;19-Nor-10-ketovitamin D3;DTXSID30978384;5(E)-19-Nor-10-ketocholecalciferol;1-hydroxy-17-(6-methylheptan-2-yl)-9,10-secoestra-5,7-dien-4-one;19-Nor-9,10-secocholesta-5,7-dien-4-one, 1-hydroxy-, (1alpha,5E,7E)-
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CAS No:
2-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one Basic Attributes
386.6 g/mol
386.318480578 g/mol
Computed Properties
Molecular Weight:386.6
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:386.318480578
Monoisotopic Mass:386.318480578
Topological Polar Surface Area:37.3
Heavy Atom Count:28
Complexity:614
Undefined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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