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Dydrogesterone Impurity 13 (Purity >90%)

CAT: 1596-AR-D05959-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D05959-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74496-89-2
Synonyms
(9S,10R,13S,14S,17S) -7-bromo-10,13-dimethyl-17- (2-methyl-1,3-dioxolan-2-yl) -1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]
Molecular Formula
C25H37BrO4
Molecular Weight
481.5
API Name
Dydrogesterone

Chemical Information

Dydrogesterone Impurity 19
CAS Number74496-89-2
PubChem CID176484992
IUPAC Name(7S,8S,9S,10R,13S,14S,17S)-7-bromo-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
Molecular FormulaC25H37BrO4
Molecular Weight481.5
XLogP4.8
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity739
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4(OCCO4)C)[C@@H](C=C5[C@@]3(CCC6(C5)OCCO6)C)Br
InChI
InChI=1S/C25H37BrO4/c1-22-8-9-25(29-12-13-30-25)15-16(22)14-19(26)21-17-4-5-20(24(3)27-10-11-28-24)23(17,2)7-6-18(21)22/h14,17-21H,4-13,15H2,1-3H3/t17-,18-,19+,20-,21-,22-,23-/m0/s1
InChIKey
AASJRIHHHXQXST-WBIUVFFSSA-N
Chemical Structure
2D Structure
2D structure of Dydrogesterone Impurity 19
CAS: 74496-89-2
CID: 176484992
Formula: C25H37BrO4
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass480.18752
Monoisotopic Mass480.18752
Topological Polar Surface Area36.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity739
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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