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Hydroxyprogesterone Impurity 19

CAT: 1299-RM-P157019-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157019-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
151-68-8
Synonyms
(6S,8R,9S,10R,13S,14S,17R) -17-acetyl-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate
Molecular Formula
C24H32O4
Molecular Weight
384.52
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(6S,8R,9S,10R,13S,14S,17R) -17-acetyl-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate

Chemical Information

Pregna-1,4-diene-3,20-dione, 17-hydroxy-6-alpha-methyl-, acetate
CAS Number151-68-8
PubChem CID200120
IUPAC Name[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC24H32O4
Molecular Weight384.5
XLogP4
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity807
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C
InChI
InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h6,9,13-14,18-20H,7-8,10-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
InChIKey
GRLKBPPYPIEWDD-PEINSRQWSA-N
Chemical Structure
2D Structure
2D structure of Pregna-1,4-diene-3,20-dione, 17-hydroxy-6-alpha-methyl-, acetate
CAS: 151-68-8
CID: 200120
Formula: C24H32O4
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass384.23005950
Monoisotopic Mass384.23005950
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity807
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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