Ophiobolin B | CAS No. 5601-74-1

Ophiobolin B

Basic Information

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CAS Number

5601-74-1

Molecular Formula

C25H38O4

Molecular Weight

402.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC(CCC=C(C)C)C1(CCC2(C1CC=C(C3C(C2)C(CC3=O)(C)O)C=O)C)O

InChI

InChI=1S/C25H38O4/c1-16(2)7-6-8-17(3)25(29)12-11-23(4)13-19-22(20(27)14-24(19,5)28)18(15-26)9-10-21(23)25/h7,9,15,17,19,21-22,28-29H,6,8,10-14H2,1-5H3/b18-9-/t17-,19-,21+,22+,23+,24+,25-/m0/s1

InChIKey

SXRLPRKYTRWOES-PCQMDVLKSA-N

LogP

4.391600000000006

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

733

Synonyms & References

English

OPHIOBOLIN B
3,14-Dihydroxy-5-oxoophiobola-7,19-dien-25-al
Cochliobolin B
G13426
5601-74-1
Ophiobolin B
OPHIOBOLINB
Ophiobola-7,19-dien-25-al, 3,14-dihydroxy-5-oxo-
SCHEMBL15542271
HY-N6780
(1R,3S,4R,7S,8E,11R,12S)-4,12-dihydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
CS-0042378
AKOS040733918
CHEMBL478388

MDL Number

MFCD08061872

FAQ

What are the physical and chemical properties of Ophiobolin B (CAS: 5601-74-1)?

Ophiobolin B (CAS: 5601-74-1) is a cyclic diterpene with a molecular weight of approximately 470.33 g/mol. It is generally insoluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong oxidizing agents. Its crystalline form has a melting point around 150°C.

How is Ophiobolin B (CAS: 5601-74-1) typically synthesized?

Ophiobolin B (CAS: 5601-74-1) is synthesized through a semi-synthetic route from naturally occurring compounds. Common methods involve biotransformation using microbial cultures followed by chemical modifications. Catalysts such as enzymes and metal complexes are used to achieve high selectivity and yield in the synthesis process.

What industries use Ophiobolin B (CAS: 5601-74-1)?

Ophiobolin B (CAS: 5601-74-1) is primarily used in the pharmaceutical industry for its potential as a bioactive compound. It has also shown promise in the development of new materials and sensors due to its unique chemical properties. Its use in semiconductors and polymers is still under research but shows potential for future applications.

What precautions should be taken when handling Ophiobolin B (CAS: 5601-74-1)?

When handling Ophiobolin B (CAS: 5601-74-1), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Ensure that all spills are handled according to the Safety Data Sheet (SDS) guidelines, and dispose of any unused material through proper waste management channels.