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Androsterone sulfate sodium

CAT: 0926-FA171319-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FA171319-01Size:1 mg
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CAS Number
1852-41-1
Smiles
C[C@@]12CC[C@@H] (C[C@H]1CC[C@H]3[C@H]2CC[C@@]4 ([C@@H]3CCC4=O) C) OS (=O) (=O) O.[Na]
Molecular Formula
C19H29NaO5S
Molecular Weight
392.49 g/mol
Controlled
No

Chemical Information

Sodium;(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) sulfate
CAS Number1852-41-1
PubChem CID3780538
IUPAC Namesodium (10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) sulfate
Molecular FormulaC19H29NaO5S
Molecular Weight392.5
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity674
SMILES
CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C19H30O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h12-16H,3-11H2,1-2H3,(H,21,22,23);/q;+1/p-1
InChIKey
CZADSKBJSXZLIB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium;(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) sulfate
CAS: 1852-41-1
CID: 3780538
Formula: C19H29NaO5S
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight392.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass392.16333948
Monoisotopic Mass392.16333948
Topological Polar Surface Area91.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes