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6β-Hydroxycortisol

CAT: 0024-sc-233657ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-233657ASize:5 mg
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CAS Number
3078-34-0

Chemical Information

6-Hydroxycortisol

6-hydroxycortisol is a 21-hydroxy steroid.

CAS Number3078-34-0
PubChem CID23624079
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O6
Molecular Weight378.5
XLogP0.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity715
SMILES
C[C@]12CCC(=O)C=C1C(C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O
InChI
InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15?,16-,18+,19-,20-,21-/m0/s1
InChIKey
GNFTWPCIRXSCQF-ZHAFKKQJSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxycortisol
CAS: 3078-34-0
CID: 23624079
Formula: C21H30O6
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass378.20423867
Monoisotopic Mass378.20423867
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W011055A6-Hydroxycortisol
FH167095-016β-Hydroxycortisol
1621946-​β-​Hydroxycortisol Sulfate
GTR10389656Rat 6β-hydroxycortisol
GTR10464252Chicken 6β-hydroxycortisol
GTR10394842Monkey 6β-hydroxycortisol
GTR10429311Human 6β-hydroxycortisol
GTR10474241Porcine 6β-hydroxycortisol
GTR10375776Goat 6β-hydroxycortisol
GTR10374310Canine 6β-hydroxycortisol

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