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19-Hydroxycortisol

CAT: 0926-EGA03237-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-EGA03237-01Size:1 mg
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CAS Number
154032-37-8
Smiles
CC12CC (C3C (C1CCC2 (C (=O) CO) O) CCC4=CC (=O) CCC34CO) O
Molecular Formula
C21H30O6
Molecular Weight
378.5 g/mol
Controlled
No

Chemical Information

19-Hydroxycortisol
CAS Number154032-37-8
PubChem CID11090178
IUPAC Name(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O6
Molecular Weight378.5
XLogP0.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity701
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)CC[C@]34CO)O
InChI
InChI=1S/C21H30O6/c1-19-9-16(25)18-14(15(19)5-7-21(19,27)17(26)10-22)3-2-12-8-13(24)4-6-20(12,18)11-23/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
InChIKey
VTKZCTNCIDPUEE-UKSDXMLSSA-N
Chemical Structure
2D Structure
2D structure of 19-Hydroxycortisol
CAS: 154032-37-8
CID: 11090178
Formula: C21H30O6
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass378.20423867
Monoisotopic Mass378.20423867
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity701
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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