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Hydrocortisone Impurity 69

CAT: 1596-AR-C08357-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08357-02Size:25 Units
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CAS Number
1233011-24-9
Synonyms
(8S,9S,10R,11S,13S,14S,17R) -11,17-dihydroxy-10,13-dimethyl-17- (2- (2-oxopropoxy) acetyl) -1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C24H34O6
Molecular Weight
418.53
API Name
Cortisol

Chemical Information

(11Beta)-11,17-Dihydroxy-21-(2-oxopropoxy)pregn-4-ene-3,20-dione
CAS Number1233011-24-9
PubChem CID171042966
IUPAC Name11,17-dihydroxy-10,13-dimethyl-17-[2-(2-oxopropoxy)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC24H34O6
Molecular Weight418.5
XLogP1.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity802
SMILES
CC(=O)COCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
InChI
InChI=1S/C24H34O6/c1-14(25)12-30-13-20(28)24(29)9-7-18-17-5-4-15-10-16(26)6-8-22(15,2)21(17)19(27)11-23(18,24)3/h10,17-19,21,27,29H,4-9,11-13H2,1-3H3
InChIKey
GVLXIUKPLRSMPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (11Beta)-11,17-Dihydroxy-21-(2-oxopropoxy)pregn-4-ene-3,20-dione
CAS: 1233011-24-9
CID: 171042966
Formula: C24H34O6
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass418.23553880
Monoisotopic Mass418.23553880
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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