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Cyproterone Acetate EP Impurity A

CAT: 1299-RM-C251701-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C251701-01Size:10 mg
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CAS Number
2701-50-0
Synonyms
3,20-dioxo-1β,2β-dihydro-3′H-cyclopropa-[1,2]pregna-1,4,6-trien-17-yl acetate; (2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR) -6-acetyl-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate
Molecular Formula
C24H30O4
Molecular Weight
382.49
Target Alternative Name
Cyproterone
Product Name Synonym
3,20-dioxo-1β,2β-dihydro-3′H-cyclopropa-[1,2]pregna-1,4,6-trien-17-yl acetate; (2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR) -6-acetyl-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate

Chemical Information

(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
CAS Number2701-50-0
PubChem CID13519086
IUPAC Name[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
Molecular FormulaC24H30O4
Molecular Weight382.5
XLogP3.3
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity853
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)C)OC(=O)C
InChI
InChI=1S/C24H30O4/c1-13(25)24(28-14(2)26)10-8-18-16-6-5-15-11-21(27)17-12-20(17)23(15,4)19(16)7-9-22(18,24)3/h5-6,11,16-20H,7-10,12H2,1-4H3/t16-,17+,18-,19-,20-,22-,23-,24-/m0/s1
InChIKey
ARUYPSAYKHCXNE-UQNNAPNASA-N
Chemical Structure
2D Structure
2D structure of (1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
CAS: 2701-50-0
CID: 13519086
Formula: C24H30O4
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass382.21440943
Monoisotopic Mass382.21440943
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity853
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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