(4S,8R,9R,21R)-3,6,6,11,11,18,18,21-Octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.0~1,8~.0~4,8~.0~9,14~.0~17,19~]docosa-2,14-dien-22-one

Basic Information

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CAS Number

77573-44-5

Molecular Formula

C26H36O5

Molecular Weight

428.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Powder

Density

1.20±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1CC2C(C2(C)C)C3C=C4COC(OC4C56C1(C3=O)C=C(C5OC(O6)(C)C)C)(C)C

InChI

InChI=1S/C26H36O5/c1-13-11-25-14(2)9-17-18(22(17,3)4)16(19(25)27)10-15-12-28-23(5,6)30-21(15)26(25)20(13)29-24(7,8)31-26/h10-11,14,16-18,20-21H,9,12H2,1-8H3/t14-,16?,17?,18?,20+,21-,25?,26-/m1/s1

InChIKey

JOKBBQPBIIZMJV-JQFFUGKZSA-N

LogP

4.411800000000004

Topological Polar Surface Area

53.99 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

941

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

AKOS040760464
Ingenol-3,4:5,20-diacetonide
3,3,6,6,8,10,12,12-Octamethyl-10,11,11a,12,12a,13-hexahydro-1H,3H,4aH,6H,7aH-9a,13-methanocyclopropa[5,6][1,3]dioxolo[2',3']cyclopenta[1',2':9,10]cyclodeca[1,2-d][1,3]dioxin-15-one
HY-N0871
CS-3918
3,6,6,11,11,18,18,21-octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.017,19]docosa-2,14-dien-22-one
BCP10724
10aH-2,12a-Methano-1H,4H-cyclopropa(5,6)(1,3)dioxolo(2',3')cyclopenta(1',2':9,10)cyclodeca(1,2-d)(1,3)dioxin-15-one, 1a,2,7a,13,14,14a-hexahydro-1,1,6,6,9,9,11,13-octamethyl-, (1aR-(1aalpha,2alpha,7aalpha,7bR*,10aalpha,12aalpha,13alpha,14aalpha))-
77573-44-5
FT-0696726
JOKBBQPBIIZMJV-UHFFFAOYSA-N
A865195
(1aR,7bR)-1aalpha,2,7aalpha,13,14,14aalpha-Hexahydro-1,1,6,6,9,9,11,13alpha-octamethyl-10aalphaH-2alpha,12aalpha-methano-1H,4H-cyclopropa[5,6][1,3]dioxolo[2',3']cyclopenta[1',2':9,10]cyclodeca[1,2-d][1,3]dioxin-15-one;Ingenol-3,4:5,20-diacetonide
Ingenol-3,4,5,20-diacetonide
DTXSID50998786
10aH-2,12a-Methano-1H,4H-cyclopropa[5,6][1,3]dioxolo[2',3']cyclopenta[1',2':9,10]cyclodeca[1,2-d][1,3]dioxin-15-one,1a,2,7a,13,14,14a-hexahydro-1,1,6,6,9,9,11,13-octamethyl-, [1aR-(1aa,2a,7aa,7bR*,10aa,12aa,13a,14aa)]- (9CI)
(1aR,7bR)-1aα,2,7aα,13,14,14aα-Hexahydro-1,1,6,6,9,9,11,13α-octamethyl-10aαH-2α,12aα-methano-1H,4H-cyclopropa[5,6][1,3]dioxolo[2',3']cyclopenta[1',2':9,10]cyclodeca[1,2-d][1,3]dioxin-15-one
Ingenol 3,4:5,20-bisacetonide
10aH-2,12a-Methano-1H,4H-cyclopropa(5,6)(1,3)dioxolo(2',3')cyclopenta(1',2':9,10)cyclodeca(1,2-d)(1,3)dioxin-15-one,1a,2,7a,13,14,14a-hexahydro-1,1,6,6,9,9,11,13-octamethyl-,(1aR-(1aalpha,2alpha,7aalpha,7bR*,10aalpha,12aalpha,13alpha,14aalpha))
3,3,6,6,8,10,12,12-octamethyl-10,11,11a,12,12a,13-hexahydro-1H,4aH,7aH-9a,13-methanocyclopropa[5,6][1,3]dioxolo[2',3']cyclopenta[1',2':9,10]cyclodeca[1,2-d][1,3]dioxin-15-one
(1S,16R,17S,19S)-3,6,6,11,11,18,18,21-Octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.

MDL Number

MFCD28411513

FAQ

What are the physical and chemical properties of (4S,8R,9R,21R)-3,6,6,11,11,18,18,21-Octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.0~1,8~.0~4,8~.0~9,14~.0~17,19~]docosa-2,14-dien-22-one (CAS: 77573-44-5)?

This compound is a solid with a crystalline form. Its molecular weight is approximately 486.5 g/mol. It is slightly soluble in common organic solvents. Chemically, it is reactive towards nucleophiles and can undergo various functional group transformations. It is not flammable under normal conditions and has a low reactivity with common laboratory reagents.

How is (4S,8R,9R,21R)-3,6,6,11,11,18,18,21-Octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.0~1,8~.0~4,8~.0~9,14~.0~17,19~]docosa-2,14-dien-22-one (CAS: 77573-44-5) typically synthesized?

This compound is typically synthesized through a complex multi-step process involving ring formation and alkylations. The synthesis often requires the use of Lewis acids as catalysts, with high selectivity and moderate to good yields. The exact method can vary, but it usually involves the use of specific reagents and conditions to achieve the desired stereochemistry and structure.

What industries use (4S,8R,9R,21R)-3,6,6,11,11,18,18,21-Octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.0~1,8~.0~4,8~.0~9,14~.0~17,19~]docosa-2,14-dien-22-one (CAS: 77573-44-5)?

This compound is utilized in various industries, including pharmaceuticals, where it serves as an intermediate in drug synthesis; polymers, where it can be used in the development of new materials; and chemical sensors, where its specific structural features make it useful for detecting certain compounds. It may also have applications in semiconductors for specific functional roles.

What precautions should be taken when handling (4S,8R,9R,21R)-3,6,6,11,11,18,18,21-Octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.0~1,8~.0~4,8~.0~9,14~.0~17,19~]docosa-2,14-dien-22-one (CAS: 77573-44-5)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate spill control measures. The Safety Data Sheet (SDS) should be consulted for detailed instructions on handling, storage, and emergency procedures.