(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene is a steroid sulfate derived from 21-hydroxypregnenolone, with both hydroxy hydrogens replaced by sulfo groups. (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene exhibits a complex molecular structure with multiple stereocenters and functional groups, which may contribute to its potential applications in various fields.
5639-07-6
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Basic information
- Product Name: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene
- Synonyms: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene;21-hydroxypregnenolone disulfate
- CAS NO:5639-07-6
- Molecular Formula: C21H32O9S2
- Molecular Weight: 0
- EINECS: N/A
- Product Categories: N/A
- Mol File: 5639-07-6.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Appearance: /
- Density: 1.45g/cm3
- Refractive Index: 1.597
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene(CAS DataBase Reference)
- NIST Chemistry Reference: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene(5639-07-6)
- EPA Substance Registry System: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene(5639-07-6)
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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: 5639-07-6(Hazardous Substances Data)
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5639-07-6 Usage
Uses
Used in Pharmaceutical Industry:(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene is used as a pharmaceutical compound for its potential therapeutic applications. The steroidal structure and sulfo groups may provide unique interactions with biological targets, making it a candidate for the development of new drugs.
Used in Chemical Research:
In the field of chemical research, (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene can be used as a starting material or a model system for studying the effects of stereochemistry and functional group modifications on the biological activity and pharmacokinetic properties of steroidal compounds.
Used in Drug Delivery Systems:
Similar to gallotannin, this steroid sulfate may also be employed in the development of novel drug delivery systems. Its unique structure and functional groups could be utilized to improve the delivery, bioavailability, and therapeutic outcomes of various drugs, particularly in the context of cancer treatment.
Check Digit Verification of cas no
The CAS Registry Mumber 5639-07-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,6,3 and 9 respectively; the second part has 2 digits, 0 and 7 respectively.Calculate Digit Verification of CAS Registry Number 5639-07:
(6*5)+(5*6)+(4*3)+(3*9)+(2*0)+(1*7)=106
106 % 10 = 6
So 5639-07-6 is a valid CAS Registry Number.
InChI:InChI=1/C21H32O9S2/c1-20-9-7-14(30-32(26,27)28)11-13(20)3-4-15-16-5-6-18(19(22)12-29-31(23,24)25)21(16,2)10-8-17(15)20/h3,14-18H,4-12H2,1-2H3,(H,23,24,25)(H,26,27,28)/t14-,15-,16-,17-,18+,20-,21-/m0/s1
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(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-sulfooxy-17-(2-sulfooxyace tyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hrene
