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PPA-904 FA

CAT: 0127-BUP20340-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20340-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20424-00-4
Synonyms
PPA-904 FA (30189-85-6 Free base)
Purity
=98%
Smiles
[H][C@@]12CC[C@](OC(=O)CC)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

Chemical Information

Deprodone Propionate

Deprodone propionate is a corticosteroid hormone.

CAS Number20424-00-4
PubChem CID443972
IUPAC Name[(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC24H32O5
Molecular Weight400.5
XLogP3.6
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity825
SMILES
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)C
InChI
InChI=1S/C24H32O5/c1-5-20(28)29-24(14(2)25)11-9-18-17-7-6-15-12-16(26)8-10-22(15,3)21(17)19(27)13-23(18,24)4/h8,10,12,17-19,21,27H,5-7,9,11,13H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-/m0/s1
InChIKey
DRSFVGQMPYTGJY-GNSLJVCWSA-N
Chemical Structure
2D Structure
2D structure of Deprodone Propionate
CAS: 20424-00-4
CID: 443972
Formula: C24H32O5
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass400.22497412
Monoisotopic Mass400.22497412
Topological Polar Surface Area80.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity825
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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