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Hydroxyprogesterone Impurity 9

CAT: 1299-RM-P157009-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157009-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16319-93-0
Synonyms
(8R,9S,10R,13S,14S,17R) -17-acetyl-3-ethoxy-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Molecular Formula
C25H36O4
Molecular Weight
400.56
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(8R,9S,10R,13S,14S,17R) -17-acetyl-3-ethoxy-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate

Chemical Information

3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate
CAS Number16319-93-0
PubChem CID10023945
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC25H36O4
Molecular Weight400.5
XLogP4.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity780
SMILES
CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@]4(C(=O)C)OC(=O)C)C
InChI
InChI=1S/C25H36O4/c1-6-28-19-9-12-23(4)18(15-19)7-8-20-21(23)10-13-24(5)22(20)11-14-25(24,16(2)26)29-17(3)27/h7,15,20-22H,6,8-14H2,1-5H3/t20-,21+,22+,23+,24+,25+/m1/s1
InChIKey
GLUPBNAYNWZRSJ-RFXJPFPRSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate
CAS: 16319-93-0
CID: 10023945
Formula: C25H36O4
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass400.26135963
Monoisotopic Mass400.26135963
Topological Polar Surface Area52.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity780
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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