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6a-Methyl Hydrocortisone

CAT: 0572-TRC-M312515-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M312515-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1625-39-4
Synonyms
(6α,11β)-11,17,21-Trihydroxy-6-methylpregn-4-ene-3,20-dione; 17-Hydroxy-6α-methylcorticosterone; 11β,17,21-Trihydroxy-6α-methylpregn-4-ene-3,20-dione; 6α-Methyl-11β,17α,21-trihydroxy-4-pregnene-3,20-dione; 6α-Methylcortisol; 6α-Methylhydrocortisone; NSC 19618; U 7240
Hazard Statement
May damage fertility or the unborn child
Purity
>95% (HPLC)
Smiles
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14
Molecular Formula
C22 H32 O5
Molecular Weight
376.49
InChI
InChI=1S/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
Additionnal Information
IUPAC name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

6alpha-Methylhydrocortisone
CAS Number1625-39-4
PubChem CID102147
IUPAC Name(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H32O5
Molecular Weight376.5
XLogP1.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity713
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)CO)O
InChI
InChI=1S/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
InChIKey
FQWLSWNUHFREIQ-PJHHCJLFSA-N
Chemical Structure
2D Structure
2D structure of 6alpha-Methylhydrocortisone
CAS: 1625-39-4
CID: 102147
Formula: C22H32O5
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.22497412
Monoisotopic Mass376.22497412
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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