(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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![(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0eff9b684f4748459385d155ce694d10.png "(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol")
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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CAS No:
106315-28-0
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Formula:
C25H40O4
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Chemical Name:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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Synonyms:
1alpha,25-Dihydroxy-21-nor-20-oxavitamin D3; 1,25-Dihydroxy-21-nor-20-oxavitamin D3;
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CAS No:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol Basic Attributes
404.58300
404.29265975
Computed Properties
Molecular Weight:404.6
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:404.29265975
Monoisotopic Mass:404.29265975
Topological Polar Surface Area:69.9
Heavy Atom Count:29
Complexity:662
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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