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Pleuromutilin 22-Mesylate

CAT: 0572-TRC-P610510-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P610510-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60924-38-1
Synonyms
Pleuromutilin 22-Mesylate; Acetic acid, 2-[(methylsulfonyl)oxy]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester; Acetic acid, [(methylsulfonyl)oxy]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahy
Hazard Statement
No Data Available
Smiles
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)COS(=O)(=O)C
Molecular Formula
C23 H36 O7 S
Molecular Weight
456.593
InChI
InChI=1S/C23H36O7S/c1-7-21(4)12-17(30-18(25)13-29-31(6,27)28)22(5)14(2)8-10-23(15(3)20(21)26)11-9-16(24)19(22)23/h7,14-15,17,19-20,26H,1,8-13H2,2-6H3/t14-,15+,17-,19+,20+,21-,22+,23+/m1/s1
Shipping Conditions
Room Temperature

Chemical Information

(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta(8)annulen-8-yl((methylsulfonyl)oxy)acetate
CAS Number60924-38-1
PubChem CID71307485
IUPAC Name[(1R,2S,3R,4R,6S,7S,8S,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-methylsulfonyloxyacetate
Molecular FormulaC23H36O7S
Molecular Weight456.6
XLogP3.7
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity862
SMILES
C[C@@H]1CC[C@]23CCC(=O)[C@@H]2[C@]1([C@H](C[C@]([C@@H]([C@H]3C)O)(C)C=C)OC(=O)COS(=O)(=O)C)C
InChI
InChI=1S/C23H36O7S/c1-7-21(4)12-17(30-18(25)13-29-31(6,27)28)22(5)14(2)8-10-23(15(3)20(21)26)11-9-16(24)19(22)23/h7,14-15,17,19-20,26H,1,8-13H2,2-6H3/t14-,15-,17+,19-,20-,21+,22-,23-/m1/s1
InChIKey
IKVZCNHNKCXZHZ-VIRBKFQOSA-N
Chemical Structure
2D Structure
2D structure of (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta(8)annulen-8-yl((methylsulfonyl)oxy)acetate
CAS: 60924-38-1
CID: 71307485
Formula: C23H36O7S
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass456.21817466
Monoisotopic Mass456.21817466
Topological Polar Surface Area115 Ų
Heavy Atom Count31
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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