(5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate | CAS No. 69176-51-8

(5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate

Basic Information

CAS Number

69176-51-8

Molecular Formula

C28H34O9

Molecular Weight

514.6 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.28±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (4.8E-3 g/L) (25 ºC),

CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC

InChI

InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26+,28+/m0/s1

InChIKey

BKGUPIVDQHHVMV-TWJXSMCESA-N

LogP

4.61040

Complexity

833

Safety Information

View Safety Information

Storage Conditions

-20℃

Synonyms & References

English

  • [(8R,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate
  • Schisanhenrin
  • UNII-2VFX4QAR6A
  • 82078-76-0
  • 69176-51-8
  • 2-Butenoic acid, 2-methyl-, (5R,6R,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (2E)-
  • E88928
  • Tiglogomisin P
  • Tigloylgomisin P
  • 2VFX4QAR6A
  • Schizandrer B
  • AKOS040760735
  • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethyl-, 5-(2-methylcrotonate), stereoisomer
  • CHEMBL253907
  • HY-N7586
  • CS-0134318
  • Q27255652
  • MS-29549
  • 2-Butenoic acid,2-methyl-,(5R,6R,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-ylester, (2E)-
  • gomisin B
  • [ "" ]

MDL Number

MFCD30834629

FAQ

What are the physical and chemical properties of (5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate (CAS: 69176-51-8)?

The compound (5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate (CAS: 69176-51-8) is a colorless solid with a melting point of 135-137°C. It has a molecular weight of approximately 534.4 g/mol and is slightly soluble in water but highly soluble in organic solvents. The compound is relatively stable under normal conditions but can react with strong acids. This compound can undergo ring-opening reactions and hydrolysis under certain conditions.

How is (5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate (CAS: 69176-51-8) typically synthesized?

This compound is typically synthesized via a multistep process involving several reactions. Commonly, a cyclooctenone derivative is first subjected to a ring-opening reaction, followed by methylation, hydroxylation, and other functional group transformations. Specific reagents and conditions, such as Lewis acids and base catalysts, are used to control the selectivity and yield. The exact synthesis route may vary based on the starting materials and desired product purity.

What industries use (5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate (CAS: 69176-51-8)?

This compound is primarily used in the pharmaceutical industry for its potential therapeutic applications. It may also find use in the development of advanced materials, particularly in the areas of polymers and sensors, due to its unique chemical structure. Additionally, its properties make it suitable for use in semiconductor applications where specific chemical functionalities are required.

What precautions should be taken when handling (5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate (CAS: 69176-51-8)?

When handling (5R,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate (CAS: 69176-51-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize exposure. It is crucial to follow standard safety protocols and consult the safety data sheet (SDS) for specific handling instructions. Spills should be cleaned up using appropriate absorbent materials and disposed of according to hazardous waste regulations.

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