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Tetrahydro-11-deoxycortisol

CAT: 0607-BA7608-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7608-5Size:5 mg
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Description
It is an endogenous metabolite present in the urine.
CAS Number
68-60-0
Synonyms
Tetrahydrodeoxycortisol
Molecular Formula
C21H34O4
Molecular Weight
350.49
Storage Conditions
Tightly sealed and desiccated at -20°C
Physical Properties
A solid

Chemical Information

Tetrahydro-11-deoxycortisol

3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one is a 21-hydroxy steroid.

CAS Number68-60-0
PubChem CID65555
IUPAC Name1-[(3R,5R,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Molecular FormulaC21H34O4
Molecular Weight350.5
XLogP3.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI
InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
InChIKey
UPTAPIKFKZGAGM-FAIYVORSSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydro-11-deoxycortisol
CAS: 68-60-0
CID: 65555
Formula: C21H34O4
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass350.24570956
Monoisotopic Mass350.24570956
Topological Polar Surface Area77.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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