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Desoxymetasone 21-Acetate

CAT: 0024-sc-500693Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-500693Size:10 mg
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CAS Number
1597-78-0

Chemical Information

Desoxymetasone 21-acetate
CAS Number1597-78-0
PubChem CID22806124
IUPAC Name[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC24H31FO5
Molecular Weight418.5
XLogP2.9
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity862
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)F)C
InChI
InChI=1S/C24H31FO5/c1-13-9-18-17-6-5-15-10-16(27)7-8-23(15,4)24(17,25)20(29)11-22(18,3)21(13)19(28)12-30-14(2)26/h7-8,10,13,17-18,20-21,29H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24+/m1/s1
InChIKey
HRPWQACPJGPYRH-XHFUFBBFSA-N
Chemical Structure
2D Structure
2D structure of Desoxymetasone 21-acetate
CAS: 1597-78-0
CID: 22806124
Formula: C24H31FO5
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass418.21555225
Monoisotopic Mass418.21555225
Topological Polar Surface Area80.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity862
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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Alternative Products

CatalogName
TRC-D296985-5MGDesoxymetasone 21-Acetate
446395Desoxymetasone-d3 21-Acetate
42135821-Dehydroxy Desoxymetasone
42135921-Dehydroxy Desoxymetasone-d3
MBS6090058-0121-O-(1-Ethoxy)ethyl Desoxymetasone
01148221-O- (1-Ethoxy) ethyl Desoxymetasone
TRC-D439455-2MG11,21-Didehydro-(9Beta,11Beta)-epoxy-21-(acetyloxy) Desoxymetasone
411820-0111,21-Didehydro- (9β,11β) -epoxy-21- (acetyloxy) Desoxymetasone
TRC-D439455-10MG11,21-Didehydro-(9b,11b)-epoxy-21-(acetyloxy) Desoxymetasone
TRC-D439457-50MG11,21-Didehydro-(9beta,11beta)-epoxy-21-(acetyloxy) Desoxymetasone-d3

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