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Desonide Impurity 9

CAT: 1596-AR-D06817-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06817-02Size:25 Units
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CAS Number
910299-72-8
Molecular Formula
C24H32O6
Molecular Weight
416.51
API Name
Desonide

Chemical Information

(2aR,5aR,5bS,5cS,6S,7aS,7bS,10aR,11aS,11bS)-6-hydroxy-7b-(2-hydroxyacetyl)-5b,7a,9,9-tetramethyl-1,5a,5b,5c,6,7,7a,7b,10a,11,11a,11b-dodecahydrocyclopenta[2'',3'']cyclopropa[1'',2'':3',4']benzo[1',2':4,5]indeno[1,2-d][1,3]dioxol-5(2H)-one
CAS Number910299-72-8
PubChem CID11711388
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13S,14R,18R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxahexacyclo[10.8.0.02,9.04,8.013,18.014,18]icos-16-en-15-one
Molecular FormulaC24H32O6
Molecular Weight416.5
XLogP1.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity894
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)CO)CC[C@]56[C@@]3([C@H]5C(=O)C=C6)C)O
InChI
InChI=1S/C24H32O6/c1-20(2)29-17-9-13-12-5-7-23-8-6-14(26)19(23)22(23,4)18(12)15(27)10-21(13,3)24(17,30-20)16(28)11-25/h6,8,12-13,15,17-19,25,27H,5,7,9-11H2,1-4H3/t12-,13-,15-,17+,18+,19+,21-,22-,23+,24+/m0/s1
InChIKey
ZPYMBCCOAPDVHF-YUABLTTMSA-N
Chemical Structure
2D Structure
2D structure of (2aR,5aR,5bS,5cS,6S,7aS,7bS,10aR,11aS,11bS)-6-hydroxy-7b-(2-hydroxyacetyl)-5b,7a,9,9-tetramethyl-1,5a,5b,5c,6,7,7a,7b,10a,11,11a,11b-dodecahydrocyclopenta[2'',3'']cyclopropa[1'',2'':3',4']benzo[1',2':4,5]indeno[1,2-d][1,3]dioxol-5(2H)-one
CAS: 910299-72-8
CID: 11711388
Formula: C24H32O6
MW: 416.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass416.21988874
Monoisotopic Mass416.21988874
Topological Polar Surface Area93.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity894
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes