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Hydrocortisone (9Beta,11Beta)-Epoxide

CAT: 0572-TRC-H714590-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H714590-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
10072-97-6
Synonyms
Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)- (9CI); 9β-Pregn-4-ene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy- (6CI,7CI,8CI); 9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.; 9β,11β-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO
Molecular Formula
C21 H28 O5
Molecular Weight
360.44
InChI
InChI=1S/C21H28O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h9,14-15,17,22,25H,3-8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9beta,11beta)-
CAS Number10072-97-6
PubChem CID112075
IUPAC Name(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP0.9
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity743
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]24[C@@H](O4)C[C@]5([C@H]3CC[C@@]5(C(=O)CO)O)C
InChI
InChI=1S/C21H28O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h9,14-15,17,22,25H,3-8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1
InChIKey
FJCQSIDXADHVFH-FEUSSREZSA-N
Chemical Structure
2D Structure
2D structure of Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9beta,11beta)-
CAS: 10072-97-6
CID: 112075
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area87.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity743
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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Alternative Products

CatalogName
MBS6108840-01Hydrocortisone (9beta,11beta)-Epoxide
013282Hydrocortisone (9β,11β) -Epoxide
RM-H040326-019 (11) -Epoxide Hydrocortisone
ESS0508-01Hydrocortisone-9β,11β-epoxide
AR-C03572-019 (11) -Epoxide Hydrocortisone Acetate
ESS0509-01Hydrocortisone-9β,11β-epoxide-21-acetate
FE164837-019beta,11beta-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione
MBS57876839beta-Hydroxydarutigenol
540200Hydrocortisone

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