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Gestodene Impurity 2

CAT: 1596-AR-G01286-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01286-06Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60919-46-2
Synonyms
15?-Hydroxyl-13-ethyl-gon-4-en-3,17-dione; (15?) -13-Ethyl-15-hydroxy-gon-4-ene-3,17-dione; 15?-hydroxy-18-methyl-estra-4-ene-3,17-dione;15?-Hydroxy-13?-ethyl-4-gonene-3,17-dione
Molecular Formula
C19H26O3
Molecular Weight
302.41
API Name
Gestodene

Chemical Information

(15alpha)-13-Ethyl-15-hydroxygon-4-ene-3,17-dione
CAS Number60919-46-2
PubChem CID15513180
IUPAC Name(8R,9S,10R,13S,14S,15S)-13-ethyl-15-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC19H26O3
Molecular Weight302.4
XLogP1.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity549
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)18(19)16(21)10-17(19)22/h9,13-16,18,21H,2-8,10H2,1H3/t13-,14+,15+,16-,18+,19+/m0/s1
InChIKey
NANJFPZFEUIDND-MYBOQGECSA-N
Chemical Structure
2D Structure
2D structure of (15alpha)-13-Ethyl-15-hydroxygon-4-ene-3,17-dione
CAS: 60919-46-2
CID: 15513180
Formula: C19H26O3
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass302.18819469
Monoisotopic Mass302.18819469
Topological Polar Surface Area54.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity549
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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RM-G051906-01Gestodene Impurity 2
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