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Hydroxyprogesterone Impurity 17

CAT: 1299-RM-P157017-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157017-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117048-56-3
Synonyms
(8S,10S,13S,14S) -17-acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C21H24O2
Molecular Weight
308.42
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(10S,13S) -17-acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

17-Acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydrocyclopenta(a)phenathren-3-one
CAS Number117048-56-3
PubChem CID57116131
IUPAC Name(8S,10S,13S,14S)-17-acetyl-10,13-dimethyl-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H24O2
Molecular Weight308.4
XLogP3.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity733
SMILES
CC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C
InChI
InChI=1S/C21H24O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,8-10,12,16,18H,4-5,7,11H2,1-3H3/t16-,18-,20-,21+/m0/s1
InChIKey
DNUWMYUNKVSEGO-BVPXEZJJSA-N
Chemical Structure
2D Structure
2D structure of 17-Acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydrocyclopenta(a)phenathren-3-one
CAS: 117048-56-3
CID: 57116131
Formula: C21H24O2
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass308.177630004
Monoisotopic Mass308.177630004
Topological Polar Surface Area34.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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