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Potassium Estrone Sulfate

CAT: 1299-RM-E050803-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E050803-01Size:10 mg
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CAS Number
1240-04-6
Synonyms
Potassium (8R,9S,13S,14S) -13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl sulfate
Molecular Formula
C18H21KO5S
Molecular Weight
388.52
Target Alternative Name
Estrone
Product Name Synonym
Potassium (8R,9S,13S,14S) -13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl sulfate

Chemical Information

Potassium estrone sulfate
CAS Number1240-04-6
PubChem CID23674502
IUPAC Namepotassium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Molecular FormulaC18H21KO5S
Molecular Weight388.5
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity630
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[K+]
InChI
InChI=1S/C18H22O5S.K/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
InChIKey
CUQHOFAEIPGLBH-ZFINNJDLSA-M
Chemical Structure
2D Structure
2D structure of Potassium estrone sulfate
CAS: 1240-04-6
CID: 23674502
Formula: C18H21KO5S
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass388.07467642
Monoisotopic Mass388.07467642
Topological Polar Surface Area91.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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RM-E050819-01Estrone Impurity 19
RM-E050809-01Estrone Impurity 9
RM-E050808-01Estrone Impurity 8
RM-E050817-01Estrone Impurity 17

Alternative Products

CatalogName
GTR19213541-01Estrone sulfate potassium
HY-113293A-01Estrone sulfate (potassium)
448505Estrone 3-Sulfate Potassium Salt
546679Estrone Sulfate
MBS3616672-01Estrone sulfate sodium
RC-S8006Squirrel Estrone sulfate
CS-EO-03542Estrone Sulfate D4
HY-113293B-01Estrone sulfate (sodium)
577717Estrone sodium sulfate
RC-R7006Rat Estrone sulfate

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