Tetrahydrocorticosterone
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Tetrahydrocorticosterone
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CAS No:
68-42-8
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Formula:
C21H34O4
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Chemical Name:
Tetrahydrocorticosterone
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Synonyms:
Pregnan-20-one,3,11,21-trihydroxy-,(3α,5β,11β)-;Corticosterone,tetrahydro-;5β-Pregnan-20-one,3α,11β,21-trihydroxy-;(3α,5β,11β)-3,11,21-Trihydroxypregnan-20-one;Tetrahydrocorticosterone;3α,5β-Tetrahydrocorticosterone;3α,11β,21-Trihydroxy-5β-pregnan-20-one;5β-Pregnane-3α,11β,21-triol-20-one;THB (tetrahydrocorticosterone)
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CAS No:
Characteristics
77.8
2.53840
Solid
1.18 g/cm3
144-145 °C @ Solvent: Ethyl acetate
509.6ºC at 760 mmHg
276.1ºC
1.557
179.6 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|187.18 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Tetrahydrocorticosterone Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Computed Properties
Molecular Weight:350.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:350.24570956
Monoisotopic Mass:350.24570956
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:548
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes