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1,2-Dihydrodesonide

CAT: 0572-TRC-D448170-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D448170-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
638-93-7
Synonyms
Dihydrodesonide; 11β,21-Dihydroxy-16α,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione; Pregn-4-ene-3,20-dione, 11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-; Corticosterone, 16α,17-dihydroxy-, cyclic 16,17-acetal with acetone (6CI); Pregn-4-ene-3,20-dione, 11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone (7CI,8CI); (11β,16α)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione; 11β,21-Dihydroxy-16α,17-isopropylidenedioxy-4-pregnene-3,20-dione; 16α-Hydroxyhydrocortisone 16,17-acetonide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Molecular Formula
C24 H34 O6
Molecular Weight
418.52
InChI
InChI=1S/C24H34O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h9,15-17,19-20,25,27H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

16alpha-Hydroxyhydrocortisone 16,17-acetonide
CAS Number638-93-7
PubChem CID22792150
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Molecular FormulaC24H34O6
Molecular Weight418.5
XLogP1.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity832
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O
InChI
InChI=1S/C24H34O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h9,15-17,19-20,25,27H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChIKey
WOSCSXKIKGHZNL-LECWWXJVSA-N
Chemical Structure
2D Structure
2D structure of 16alpha-Hydroxyhydrocortisone 16,17-acetonide
CAS: 638-93-7
CID: 22792150
Formula: C24H34O6
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass418.23553880
Monoisotopic Mass418.23553880
Topological Polar Surface Area93.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity832
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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