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Hydrocortisone 21-Valerate

CAT: 0024-sc-489988Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-489988Size:10 mg
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CAS Number
6678-00-8

Chemical Information

11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
CAS Number6678-00-8
PubChem CID111229
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
Molecular FormulaC26H38O6
Molecular Weight446.6
XLogP3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity832
SMILES
CCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
InChI
InChI=1S/C26H38O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h13,18-20,23,28,31H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
InChIKey
XHDMDWMKAYYIRK-FZNHGJLXSA-N
Chemical Structure
2D Structure
2D structure of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
CAS: 6678-00-8
CID: 111229
Formula: C26H38O6
MW: 446.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass446.26683893
Monoisotopic Mass446.26683893
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity832
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
GAA67800Hydrocortisone 21-valerate
GDA45646-01Hydrocortisone 17-valerate 21-acetate
TRC-H939770-100MG6-Hydroxy Hydrocortisone 21-Valerate
T0276-01Hydrocortisone Valerate
TRC-H714740-1GHydrocortisone 17-Valerate
HY-B1265RHydrocortisone 17-valerate (Standard)
439228-016β-Hydroxy Hydrocortisone 17-Valerate
TRC-K192050-25MG1-Keto Hydrocortisone 17-Valerate
439152-016α-Hydroxy Hydrocortisone 17-Valerate
TRC-H939760-500MG6alpha-Hydroxy Hydrocortisone 17-Valerate

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