17975-91-6

Basic information

• Product Name: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethy l-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17- yl]ethanone
• Synonyms: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethy l-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17- yl]ethanone
• CAS NO: 17975-91-6
• Molecular Formula: C₂₁H₃₁IO₃
• Molecular Weight: 0
• Mol File: 17975-91-6.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 536.1°Cat760mmHg
• Flash Point: 278°C
• Appearance: /
• Density: 1.49g/cm³
• Vapor Pressure: 9.93E-14mmHg at 25°C
• Refractive Index: 1.611
• CAS DataBase Reference: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethy l-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17- yl]ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethy l-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17- yl]ethanone(17975-91-6)
• EPA Substance Registry System: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethy l-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17- yl]ethanone(17975-91-6)

Safety Data

• Hazardous Substances Data: 17975-91-6(Hazardous Substances Data)

Usage

Chemical class

Cyclopenta[a]phenanthrene derivative

Functional groups

Ketone, hydroxyl, and iodine atom

Stereochemistry

Complex, with multiple chiral centers (3S,8R,9S,10R,13S,14S,16S,17R)

Structural features

Dodecahydro (12 hydrogen atoms) and dimethyl (2 methyl groups) substitutions

Molecular weight

Approximately 543.53 g/mol

Potential applications

Pharmaceutical and chemical industries (requires further study and investigation)

Solubility

Unknown, but may vary depending on solvents and temperature

Stability

Unknown, but may be sensitive to light, heat, or moisture (requires further study)

Reactivity

Unknown, but may react with strong acids, bases, or reducing agents (requires further study)

Toxicity

Unknown, but may have potential hazards due to the presence of an iodine atom (requires further study)

Environmental impact

Unknown, but may have potential ecological risks (requires further study and investigation)

Synthesis

Complex, involving multiple steps and stereoselective reactions (requires further study and optimization)

Analytical techniques

NMR, IR, and mass spectrometry for structural elucidation (requires further study)

Purity

Unknown, but may require purification techniques such as chromatography (requires further study)

InChI:InChI=1/C21H31IO3/c1-12(23)21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,24-25H,5-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21+/m0/s1

Upstream product

• 974-23-2 3β-hydroxy-16α,17α-epoxypregn-5-en-20-one 

Downstream Products

• 387-79-1 17-Hydroxypregnenolone