84985-78-4

Basic information

• Product Name: (3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol
• Synonyms: (1R,3aR,4R,7aR)-Octahydro-4-hydroxy-α-[(Z)-[(5S)-5-hydroxy-2-Methylenecyclohexylidene]Methyl]-7a-Methyl-1-[(1R,2E,4R)-1,4,5-triMethyl-2-hexen-1-yl]-1H-indene-4-Methanol;(3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol;4-[1-Hydroxy-2-(5-hydroxy-2-methylene-cyclohexylidene)-ethyl]-7R-methyl-1R-(1R,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol
• CAS NO: 84985-78-4
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.66304
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 84985-78-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 548.912°C at 760 mmHg
• Flash Point: 226.852°C
• Appearance: /
• Density: 1.052g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.544
• Solubility: Ethyl Acetate, Methanol
• CAS DataBase Reference: (3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol(CAS DataBase Reference)
• NIST Chemistry Reference: (3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol(84985-78-4)
• EPA Substance Registry System: (3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol(84985-78-4)

Safety Data

• Hazardous Substances Data: 84985-78-4(Hazardous Substances Data)

Usage

Description

(3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol is a derivative of Vitamin D, characterized as an off-white solid. It is a complex steroidal structure with specific stereochemistry at various positions, which contributes to its potential applications in pharmaceutical chemistry.

Uses

Used in Pharmaceutical Industry:
(3β,5Z,7R,8α,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol is used as an intermediate for the preparation of Vitamin-based antibiotics. Its unique structure allows it to serve as a key component in the synthesis of antibiotics that can potentially target specific pathogens or exhibit enhanced antimicrobial properties.
As a derivative of Vitamin D, this compound may also find applications in other areas of pharmaceutical development, such as in the creation of drugs targeting specific diseases or conditions where Vitamin D plays a crucial role in treatment or management. Its chemical properties and structural features make it a promising candidate for further research and development in the pharmaceutical field.

InChI:InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19?,21-,23-,24-,25?,26?,27-,28?/m1/s1

Upstream product

• 50-14-6 Calciferol 

Downstream Products

• 1372617-13-4 20,25-dihydroxyvitamin D₃ 
• 651734-12-2 20S-Hydroxyvitamin D₃ 
• 100858-27-3 (S)-(Z)-{2-[5-(tert-butyldimethylsiloxy)-2-methylenecyclohexylidene]ethyl}diphenylphosphine oxide 
• 1014717-75-9 (S,Z)-tert-butyl(2-(5-((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethoxy)dimethylsilane 
• 55812-80-1 (1R,3aR,7aR)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-one 
• 1104078-91-2 (5Z,22E,7R)-3β,7-di-(pent-4-enoyloxy)-9,10-seco-ergosta-5,10(19),22-triene-8β-ol 
• 73809-05-9 3-epi-25-hydroxyvitamin D₃ 
• 100928-03-8 (S)-2-((1R,3aR,4S,7aR)-4-(tert-butyldimethylsilyloxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol 
• 100928-11-8 25,25-(ethylenedioxy)-27-norvitamin D₃ triisopropylsilyl ether 
• 100928-12-9 (R)-4-Methylene-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(R)-1-methyl-4-(2-methyl-[1,3]dioxolan-2-yl)-butyl]-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-cyclohexanol 

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