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6-alpha-Hydroxy Cortisone

CAT: 1596-AR-C03622-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
67010-76-8
Synonyms
(6S,8S,9S,10R,13S,14S,17R) -6,17-dihydroxy-17- (2-hydroxyacetyl) -10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11 (2H,6H) -dione
Molecular Formula
C21H28O6
Molecular Weight
376.45
API Name
Cortisone

Chemical Information

6-alpha-Hydroxy Cortisone
CAS Number67010-76-8
PubChem CID96866828
IUPAC Name(6S,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H28O6
Molecular Weight376.4
XLogP0.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity756
SMILES
C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI
InChI=1S/C21H28O6/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/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1
InChIKey
BCHHPSBWEQCAPG-ZPSUVKRCSA-N
Chemical Structure
2D Structure
2D structure of 6-alpha-Hydroxy Cortisone
CAS: 67010-76-8
CID: 96866828
Formula: C21H28O6
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass376.18858861
Monoisotopic Mass376.18858861
Topological Polar Surface Area112 Ų
Heavy Atom Count27
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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