The chemical compound "(3R,5S,8R,9S,10S,13R,14S,17R)-3-(2-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" configurations at various carbon atoms, which determine the three-dimensional arrangement of the molecule. It also includes a 2-chlorophenylethynyl group, which is a phenyl ring with a chlorine atom and a triple bond, and a (R)-1,5-dimethyl-hexyl chain, which is an alkyl chain with two methyl groups. The presence of these functional groups and the specific arrangement of the molecule's atoms contribute to its unique chemical properties and potential applications in fields such as pharmaceuticals or materials science.
80114-98-3
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Basic information
- Product Name: (3R,5S,8R,9S,10S,13R,14S,17R)-3-(2-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
- Synonyms:
- CAS NO:80114-98-3
- 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-(2-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-(2-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol(80114-98-3)
- EPA Substance Registry System: (3R,5S,8R,9S,10S,13R,14S,17R)-3-(2-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol(80114-98-3)
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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: 80114-98-3(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 80114-98-3 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 8 respectively.Calculate Digit Verification of CAS Registry Number 80114-98:
(7*8)+(6*0)+(5*1)+(4*1)+(3*4)+(2*9)+(1*8)=103
103 % 10 = 3
So 80114-98-3 is a valid CAS Registry Number.
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(3R,5S,8R,9S,10S,13R,14S,17R)-3-(2-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol
