3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid
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![3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/63575fd01ff043b8bf27da016e09e3de.png "3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid")
3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid
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CAS No:
40845-01-0
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Formula:
C24H34O4S
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Chemical Name:
3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid
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Synonyms:
Propanoic acid,3-[[(7α)-3,20-dioxopregn-4-en-7-yl]thio]-;3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid;Pregn-4-ene-3,20-dione-7α-carboxyethyl thioether
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CAS No:
Description
ChEBI: A steroid acid consisting of progesterone having a 2-carboxyethylthio group at the 7alpha-position.
Computed Properties
Molecular Weight:418.6
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:418.21778074
Monoisotopic Mass:418.21778074
Topological Polar Surface Area:96.7
Heavy Atom Count:29
Complexity:758
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[[(7α)-3,20-Dioxopregn-4-en-7-yl]thio]propanoic acid
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