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Medroxyprogesterone Acetate Impurity 16

CAT: 1299-RM-M041516-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M041516-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14510-23-7
Synonyms
(1S,4aS,4bR,10aR,10bS,12aS) -1-hydroxy-1,10a,12a-trimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydrochrysene-2,8-dione
Molecular Formula
C21H30O3
Molecular Weight
330.47
Target Alternative Name
Medroxyprogesterone Acetate

Chemical Information

17a-Hydroxy-17a-methyl-D-homoandrost-4-ene-3,17-dione
CAS Number14510-23-7
PubChem CID139025771
IUPAC Name(1S,4aS,4bR,10aR,10bR,12aS)-1-hydroxy-1,10a,12a-trimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-chrysene-2,8-dione
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP3.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity635
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCC(=O)[C@@]4(C)O)C
InChI
InChI=1S/C21H30O3/c1-19-10-8-14(22)12-13(19)4-5-15-16(19)9-11-20(2)17(15)6-7-18(23)21(20,3)24/h12,15-17,24H,4-11H2,1-3H3/t15-,16-,17+,19+,20+,21-/m1/s1
InChIKey
ICFLNIOJLONJAO-BZYBLJFLSA-N
Chemical Structure
2D Structure
2D structure of 17a-Hydroxy-17a-methyl-D-homoandrost-4-ene-3,17-dione
CAS: 14510-23-7
CID: 139025771
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity635
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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