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Betamethasone Impurity 115

CAT: 1299-RM-B201515-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B201515-01Size:10 mg
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CAS Number
52092-10-1
Synonyms
(10S,11S,13S,14S,16S,17R) -11-hydroxy-10,13,16-trimethyl-3-oxo-17- (2- (propionyloxy) acetyl) -6,7,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl propionate
Molecular Formula
C28H36O7
Molecular Weight
484.59
Target Alternative Name
Betamethasone
Product Name Synonym
(10S,11S,13S,14S,16S,17R) -11-hydroxy-10,13,16-trimethyl-3-oxo-17- (2- (propionyloxy) acetyl) -6,7,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl propionate

Chemical Information

(10S,11S,13S,14S,16S,17R)-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl propionate
CAS Number52092-10-1
PubChem CID177830079
IUPAC Name[2-[(10S,11S,13S,14S,16S,17R)-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Molecular FormulaC28H36O7
Molecular Weight484.6
XLogP2.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity1070
SMILES
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3=C2CCC4=CC(=O)C=C[C@@]43C)O)C)C)OC(=O)CC
InChI
InChI=1S/C28H36O7/c1-6-23(32)34-15-22(31)28(35-24(33)7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-26(17,4)25(19)21(30)14-27(20,28)5/h10-11,13,16,20-21,30H,6-9,12,14-15H2,1-5H3/t16-,20-,21-,26-,27-,28-/m0/s1
InChIKey
FVNOIGBFBHNKSQ-QTGVEGAWSA-N
Chemical Structure
2D Structure
2D structure of (10S,11S,13S,14S,16S,17R)-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl propionate
CAS: 52092-10-1
CID: 177830079
Formula: C28H36O7
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass484.24610348
Monoisotopic Mass484.24610348
Topological Polar Surface Area107 Ų
Heavy Atom Count35
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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