78518-74-8

Basic information

• Product Name: (5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one
• Synonyms: (-)-Sipholenone A;(5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one;Sipholenone;Sipholenone A
• CAS NO: 78518-74-8
• Molecular Formula: C₃₀H₅₀O₄
• Molecular Weight: 474.7156
• Mol File: 78518-74-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 567.2°C at 760 mmHg
• Flash Point: 173.9°C
• Appearance: /
• Density: 1.011g/cm³
• Vapor Pressure: 3.17E-15mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: (5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one(78518-74-8)
• EPA Substance Registry System: (5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one(78518-74-8)

Safety Data

• Hazardous Substances Data: 78518-74-8(Hazardous Substances Data)

Usage

Description

(5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one is a complex organic compound belonging to the benzoxepin class. It features a unique structure with hydroxyl and methyl groups, as well as cyclohexene and azulene moieties. (5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one may have potential applications in various industries, particularly in pharmaceuticals, but further research and analysis are required to determine its specific uses and properties.

Uses

Used in Pharmaceutical Industry:
(5aR,9aα)-4,5,5a,6,7,8,9,9a-Octahydro-7β-hydroxy-2,2,5aβ,7α-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepin-3(2H)-one is used as a potential pharmaceutical compound for [application reason]. Its complex structure and the presence of hydroxyl and methyl groups, along with cyclohexene and azulene moieties, suggest that it may have therapeutic properties that can be harnessed for the development of new drugs or treatments. Further research and analysis are needed to explore its potential applications and efficacy in the pharmaceutical industry.

InChI:InChI=1/C30H50O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-23,25,32-33H,10-18H2,1-8H3/t20-,21+,22+,23+,25+,28+,29+,30-/m0/s1

Upstream product

• 78518-73-7 Sipholenol A 
• 78518-73-7 sipholenol-A 
• 132059-28-0 (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3S,5aS,6S,7R,9aS)-7-hydroxy-6-[2-((1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-5-yl)-ethyl]-2,2,5a,7-tetramethyl-decahydro-benzo[b]oxepin-3-yl ester 

Downstream Products

• 78518-73-7 Sipholenol A 
• 1455460-44-2 C₃₇H₅₅NO₅ 
• 133696-65-8 (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3R,5aS,6S,7R,9aS)-7-hydroxy-6-[2-((1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-5-yl)-ethyl]-2,2,5a,7-tetramethyl-decahydro-benzo[b]oxepin-3-yl ester 
• 86783-85-9 episipholenol A 
• 132059-28-0 (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3S,5aS,6S,7R,9aS)-7-hydroxy-6-[2-((1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-5-yl)-ethyl]-2,2,5a,7-tetramethyl-decahydro-benzo[b]oxepin-3-yl ester 

Relevant articles and documents

A New Aspect of the High-Field NMR Application of Mosher's Method. The Absolute Configuration of Marine Triterpene Sipholenol-A

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