Desonide glyoxal

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CAS Number

57171-18-3

Synonyms

2- ((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]dioxol-8b-yl) -2-oxoacetaldehyde compound with (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS) -8b- (2,2-dihydroxyacetyl) -7-hydroxy-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one (1:1)

Molecular Formula

C24H32O7

Molecular Weight

432.51

API Name

Desonide

Chemical Information

Desonide glyoxal

CAS Number	57171-18-3
PubChem CID	154572820
IUPAC Name	2-[(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-dien-8-yl]-2-oxoacetaldehyde
Molecular Formula	C24H30O6
Molecular Weight	414.5
XLogP	2.2
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	30
Formal Charge	0
Complexity	901

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)C=O)CCC5=CC(=O)C=C[C@]35C)O

InChI

InChI=1S/C24H30O6/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/h7-9,12,15-17,19-20,27H,5-6,10-11H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1

InChIKey

KEMXOZSBCMOIEF-LECWWXJVSA-N

Chemical Structure

2D Structure

CAS: 57171-18-3

CID: 154572820

Formula: C24H30O6

MW: 414.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	414.5
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	414.20423867
Monoisotopic Mass	414.20423867
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	901
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-G01582-01	Glyoxal
AR-D01475-01	Desonide Impurity 6 (Desonide 21-Aldehyde)
AR-D01469-01	Desonide Impurity 1
AR-D01470-01	Desonide Impurity 5
AR-D06816-01	Desonide Impurity 8
AR-D06819-01	Desonide Impurity 10
AR-D01454-01	Delta-14-Desonide
AR-D01474-01	Desonide Impurity 4
AR-D06817-01	Desonide Impurity 9
AR-D01471-01	17-Carboxy Desonide

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B2158-5.1	Desonide

Desonide glyoxal

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