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17-Carboxy Desonide

CAT: 1596-AR-D01471-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01471-01Size:100 Units
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CAS Number
117782-94-2
Synonyms
(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS) -7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-8b-carboxylic acid; (11?,16?,17?) -11-Hydroxy-16,17-[ (1-methylethylidene) bis (oxy) ]-3-oxoandrosta-1,4-diene-17-carboxylic acid; Desglycolaldehyde-carboxyl Desonide
Molecular Formula
C23H30O6
Molecular Weight
402.49
API Name
Desonide

Chemical Information

Desglycolaldehyde-carboxyl Desonide
CAS Number117782-94-2
PubChem CID14129598
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid
Molecular FormulaC23H30O6
Molecular Weight402.5
XLogP2.3
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity857
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)O)CCC5=CC(=O)C=C[C@]35C)O
InChI
InChI=1S/C23H30O6/c1-20(2)28-17-10-15-14-6-5-12-9-13(24)7-8-21(12,3)18(14)16(25)11-22(15,4)23(17,29-20)19(26)27/h7-9,14-18,25H,5-6,10-11H2,1-4H3,(H,26,27)/t14-,15-,16-,17+,18+,21-,22-,23-/m0/s1
InChIKey
FRRZIPPXTFWZML-JBAFZSFZSA-N
Chemical Structure
2D Structure
2D structure of Desglycolaldehyde-carboxyl Desonide
CAS: 117782-94-2
CID: 14129598
Formula: C23H30O6
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass402.20423867
Monoisotopic Mass402.20423867
Topological Polar Surface Area93.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity857
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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