(3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methyl-2-butenoate

Basic Information

View in Editor

CAS Number

877822-41-8

Molecular Formula

C24H30O9

Molecular Weight

462.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Cryst.

Density

1.24±0.1 g/cm3 (20 ºC 760 Torr)

Solubility

Methanol,DMSO,Acetontrile

SMILES

View in Editor

CC1=CC2C(C(CC(=CCC1OC(=O)C)COC(=O)C)OC(=O)C(=CCO)C)C(=C)C(=O)O2

InChI

InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10+,18-6-/t19-,20+,21+,22-/m0/s1

InChIKey

HPWMABTYJYZFLK-FHEQDPKSSA-N

LogP

2.0959

Topological Polar Surface Area

125.43000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

909

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

Eupalinolide B
AC-35004
AKOS016012040
DTXSID50855825
877822-41-8
CS-0009781
877822-40-7
HY-N0753
Eupalinolide-A
Eupalinolide A
(3aR,4R,6Z,9S,10E,11aR)-9-(Acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methylbut-2-enoate
[9-Acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]f
Eupalinolide I

MDL Number

MFCD23379927

FAQ

What is (3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methyl-2-butenoate (CAS: 877822-41-8)?

This compound is a complex organic molecule with a specific stereochemistry and functional groups. It is a derivative of a furan ring with multiple substituents and a conjugated double bond system. Its properties include solubility and reactivity typical of such organic compounds.

What are the main uses of (3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methyl-2-butenoate (CAS: 877822-41-8)?

This compound is primarily used in pharmaceutical research and development, as a potential intermediate or building block in the synthesis of other bioactive molecules. Its specific uses may include medicinal chemistry studies, drug discovery, and as a component in custom chemical synthesis.

Is (3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methyl-2-butenoate (CAS: 877822-41-8) safe?

This compound is generally safe under normal handling conditions when appropriate personal protective equipment is used. However, it should be handled with care due to its chemical nature, and exposure to skin or inhalation should be avoided. Adequate ventilation and proper storage conditions are recommended.

How should (3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methyl-2-butenoate (CAS: 877822-41-8) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It is advisable to keep it in a well-sealed container to prevent degradation. Excessive moisture or temperature fluctuations should be avoided to ensure the stability of the compound.