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Org 2058

CAT: 0931-T33819-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33819-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24320-06-7
Target
Others
Related Pathways
Others
Bioactivity
Org 2058 is a synthetic progestin.
Smiles
C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(C[C@@H](CC)[C@@H]2C(CO)=O)[H]
Molecular Formula
C22H32O3
Molecular Weight
344.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Org 2058
CAS Number24320-06-7
PubChem CID119086
IUPAC Name(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H32O3
Molecular Weight344.5
XLogP3.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity606
SMILES
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1C(=O)CO)C
InChI
InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1
InChIKey
IJLXLZGJDSJGIQ-BILPMHSYSA-N
Chemical Structure
2D Structure
2D structure of Org 2058
CAS: 24320-06-7
CID: 119086
Formula: C22H32O3
MW: 344.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass344.23514488
Monoisotopic Mass344.23514488
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity606
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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