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Hydroxyprogesterone Impurity 29

CAT: 1299-RM-P157029-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157029-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23460-76-6
Synonyms
2- ((8S,10S,13S,14S) -10,13-dimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate
Molecular Formula
C23H28O4
Molecular Weight
368.47
Target Alternative Name
Hydroxyprogesterone

Chemical Information

21-Hydroxypregna-4,9(11),16-triene-3,20-dione 21-acetate
CAS Number23460-76-6
PubChem CID11111384
IUPAC Name[2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H28O4
Molecular Weight368.5
XLogP2.9
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity814
SMILES
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C
InChI
InChI=1S/C23H28O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7,9,12,17-18H,4-6,8,10-11,13H2,1-3H3/t17-,18-,22-,23-/m0/s1
InChIKey
ZBULDJKFUGQBQC-PTRHGPIFSA-N
Chemical Structure
2D Structure
2D structure of 21-Hydroxypregna-4,9(11),16-triene-3,20-dione 21-acetate
CAS: 23460-76-6
CID: 11111384
Formula: C23H28O4
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass368.19875937
Monoisotopic Mass368.19875937
Topological Polar Surface Area60.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity814
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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