21-hydroxyoligomycin A

Basic Information

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CAS Number

102042-09-1

Molecular Formula

C45H74O12

Molecular Weight

807.07 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 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

SMILES

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CCC1C=CC=CCC(C(C(C(=O)C(C(C(C(=O)C(C(C(C=CC(=O)OC2C(C(CC1O)OC3(C2C)CCC(C(O3)CC(C)O)C)C)C)O)C)C)O)C)(C)O)O)C

InChI

InChI=1S/C45H74O12/c1-12-33-17-15-13-14-16-26(4)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)25(3)18-19-37(48)55-41-28(6)36(23-34(33)47)57-45(32(41)10)21-20-24(2)35(56-45)22-27(5)46/h13-15,17-19,24-36,38,40-42,46-47,49,51-52,54H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34+,35-,36-,38+,40+,41+,42-,44+,45+/m0/s1

InChIKey

SCVGLVGTMYJVOI-AAYFJTACSA-N

LogP

4.853400000000005

Topological Polar Surface Area

200.27999999999997 Å²

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

1430

Synonyms & References

English

(1R,2'S,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,28S,29R)-22-ethyl-3',4',5',6'-tetrahydro-7,11,14,15,23-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,1
102042-09-1
21-Hydroxyoligomycin A
(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14R,15R,16S,18E,20E,22R,25R,27S,28R,29S)-22-ethyl-7,11,14,15,23-pentahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-[2H]pyran]-3,9,13-trione,22-ethyl-3',4',5',6'-tetrahydro-7,11,14,15,23-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-,(1R,2'S,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,28S,29R)-
(4S,5E,5'S,6'S,7E,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,26S)-4-ethyl-3,11,12,15,19-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,11,12,14,16,18,20,26-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacos
21-HYDROXY-OLIGOMYCIN A
Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-[2H]pyran]-3,9,13-trione,22-ethyl...
Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-[2H]pyran]-3,9,13-trione,22-ethyl-3',4',5',6'-tetrahydro-7,11,14
21-Hydroxyl-oligomycin A
Oligomycin A,21-hydroxy
21-hydroxyoligomycin A
HydroxyoligoMycin A, 21-
NeMadectin oMega, LL-F28249 oMega

MDL Number

MFCD09752734

FAQ

What are the physical and chemical properties of 21-hydroxyoligomycin A (CAS: 102042-09-1)?

21-hydroxyoligomycin A (CAS: 102042-09-1) is a crystalline compound with a molecular weight of approximately 1314.6 g/mol. It has poor water solubility and is slightly soluble in organic solvents like dimethyl sulfoxide (DMSO). Chemically, it is relatively stable but can react with strong acids or bases under extreme conditions. Its solubility and reactivity make it suitable for specific biochemical assays and drug development.

How is 21-hydroxyoligomycin A (CAS: 102042-09-1) typically synthesized?

21-hydroxyoligomycin A (CAS: 102042-09-1) is synthesized through a complex multi-step process involving chemical transformations such as condensation, reduction, and oxidation. Common catalysts used include transition metals like palladium and rhodium. The synthetic route aims for high yield and selectivity, with purification through column chromatography and recrystallization steps.

What industries use 21-hydroxyoligomycin A (CAS: 102042-09-1)?

21-hydroxyoligomycin A (CAS: 102042-09-1) is primarily used in the pharmaceutical industry for developing new antitumor agents and as a research tool. It is also utilized in the biotechnology sector for studying protein-protein interactions and in the field of sensor technology for detecting specific biomolecules.

What precautions should be taken when handling 21-hydroxyoligomycin A (CAS: 102042-09-1)?

When handling 21-hydroxyoligomycin A (CAS: 102042-09-1), 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 a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.