The chemical compound "(3R,5S,8R,9S,10S,13R,14S,17R)-3-(4-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol" is a complex, chiral molecule with a unique structure. It features a cyclopenta[a]phenanthren-3-ol core, which is a type of polycyclic aromatic hydrocarbon. The molecule is characterized by its chiral centers, indicated by the "R" and "S" prefixes, which denote the specific three-dimensional arrangement of atoms around each asymmetric carbon atom. It also includes a 4-chlorophenylethynyl group, which is a phenyl ring with a triple bond and a chlorine atom, and a (R)-1,5-dimethyl-hexyl chain, which is an alkyl group with two methyl groups at specific positions. The presence of these functional groups and the molecule's stereochemistry contribute to its unique properties and potential applications in various fields, such as pharmaceuticals or materials science.
80114-99-4
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Basic information
- Product Name: (3R,5S,8R,9S,10S,13R,14S,17R)-3-(4-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
- Synonyms:
- CAS NO:80114-99-4
- Molecular Formula:
- Molecular Weight: 523.242
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: (3R,5S,8R,9S,10S,13R,14S,17R)-3-(4-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol(CAS DataBase Reference)
- NIST Chemistry Reference: (3R,5S,8R,9S,10S,13R,14S,17R)-3-(4-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol(80114-99-4)
- EPA Substance Registry System: (3R,5S,8R,9S,10S,13R,14S,17R)-3-(4-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol(80114-99-4)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 80114-99-4(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 80114-99-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,1,1 and 4 respectively; the second part has 2 digits, 9 and 9 respectively.Calculate Digit Verification of CAS Registry Number 80114-99:
(7*8)+(6*0)+(5*1)+(4*1)+(3*4)+(2*9)+(1*9)=104
104 % 10 = 4
So 80114-99-4 is a valid CAS Registry Number.
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(3R,5S,8R,9S,10S,13R,14S,17R)-3-(4-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
