(8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol is a complex steroid compound characterized by a cyclopenta[a]phenanthrene core with three hydroxyl groups at positions 3, 16, and 17, and two nitro groups at positions 2 and 4. The molecule's stereochemistry is defined by the S and R configurations at various positions, which may contribute to its potential biological activity.
84605-03-8
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Basic information
- Product Name: (8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,1 7-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
- Synonyms: (8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,1 7-decahydrocyclopenta[a]phenanthrene-3,16,17-triol;2,4-dinitroestriol
- CAS NO:84605-03-8
- Molecular Formula: C18H22N2O7
- Molecular Weight: 378.38
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 487.3°C at 760 mmHg
- Flash Point: 193.1°C
- Appearance: /
- Density: 1.493g/cm3
- Vapor Pressure: 2.6E-10mmHg at 25°C
- Refractive Index: 1.666
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: (8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,1 7-decahydrocyclopenta[a]phenanthrene-3,16,17-triol(CAS DataBase Reference)
- NIST Chemistry Reference: (8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,1 7-decahydrocyclopenta[a]phenanthrene-3,16,17-triol(84605-03-8)
- EPA Substance Registry System: (8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,1 7-decahydrocyclopenta[a]phenanthrene-3,16,17-triol(84605-03-8)
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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: 84605-03-8(Hazardous Substances Data)
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84605-03-8 Usage
Uses
Used in Pharmaceutical Industry:(8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol is used as a potential pharmaceutical agent for its steroid-like structure and the presence of multiple functional groups, which may offer various therapeutic applications. Further research is required to explore its full potential and establish its efficacy and safety.
Used in Chemical Research:
In the field of chemical research, (8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol can be used as a subject for studying the effects of stereochemistry on biological activity and the interactions between different functional groups within a steroidal framework. This may lead to the development of new drugs or a better understanding of molecular interactions.
Check Digit Verification of cas no
The CAS Registry Mumber 84605-03-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,4,6,0 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.Calculate Digit Verification of CAS Registry Number 84605-03:
(7*8)+(6*4)+(5*6)+(4*0)+(3*5)+(2*0)+(1*3)=128
128 % 10 = 8
So 84605-03-8 is a valid CAS Registry Number.
InChI:InChI=1/C18H22N2O7/c1-18-5-4-8-9(12(18)7-14(21)17(18)23)2-3-10-11(8)6-13(19(24)25)16(22)15(10)20(26)27/h6,8-9,12,14,17,21-23H,2-5,7H2,1H3/t8-,9+,12-,14+,17-,18-/m0/s1
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(8S,9S,13S,14S,16R,17R)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,1 7-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
