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Sodium metabisulfite

CAT: 1299-RM-E181425-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E181425-01Size:10 mg
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CAS Number
192704-70-4
Synonyms
Methyl (7R,8S,9S,10R,13S,14S,17R) -10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
Molecular Formula
C24H30O5
Molecular Weight
398.5
Target Alternative Name
Eplerenone
Product Name Synonym
Methyl (7R,8S,9S,10R,13S,14S,17R) -10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

Chemical Information

methyl (7R,10R,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CAS Number192704-70-4
PubChem CID59075895
IUPAC Namemethyl (7R,10R,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
Molecular FormulaC24H30O5
Molecular Weight398.5
XLogP2.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity855
SMILES
C[C@]12CCC(=O)C=C1C[C@H](C3C2C=C[C@]4(C3CC[C@@]45CCC(=O)O5)C)C(=O)OC
InChI
InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,9,12,16-18,20H,4,6-8,10-11,13H2,1-3H3/t16-,17?,18?,20?,22+,23+,24-/m1/s1
InChIKey
FURKMCSWGYMQIF-NBMRSODRSA-N
Chemical Structure
2D Structure
2D structure of methyl (7R,10R,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
CAS: 192704-70-4
CID: 59075895
Formula: C24H30O5
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass398.20932405
Monoisotopic Mass398.20932405
Topological Polar Surface Area69.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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