ophiopojaponin C

Basic Information

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CAS Number

911819-08-4

Molecular Formula

C46H72O17

Molecular Weight

897.07 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

Powder

Density

1.47

SMILES

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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)OC(=O)C)OC7C(C(C(C(O7)C)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C46H72O17/c1-19-10-13-46(56-17-19)20(2)32-30(63-46)16-28-26-9-8-24-14-25(59-23(5)47)15-31(45(24,7)27(26)11-12-44(28,32)6)60-43-40(62-42-38(54)36(52)33(49)21(3)57-42)39(34(50)22(4)58-43)61-41-37(53)35(51)29(48)18-55-41/h8,19-22,25-43,48-54H,9-18H2,1-7H3/t19-,20+,21+,22-,25-,26-,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+,42+,43-,44+,45+,46-/m1/s1

InChIKey

MQTJXIHSKXORQL-RFMZWHELSA-N

LogP

1.4224000000000057

Topological Polar Surface Area

241.74999999999994 Å²

Hydrogen Bond Donor/Acceptor

7 / 17

Complexity

1700

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Ophiopogonin C
(3β,25R)-14,17-Dihydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside
Ophiopojaponin C
[14-[5-Hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyox
(3β,25R)-14,17-Dihydroxyspirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside (ACI)
Ophiopogenin 3-O-[α-L-rhamnopyranosyl-(1→2)]-β-D-xylopyranosyl-(1→4)-β-D-glucopyranoside
Q-100888
ophiopojaponin C
911819-08-4
DA-66355
[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S,6R)-5-hydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate
[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S,6R)-5-hydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02
Ophiopojaponin-C

MDL Number

MFCD11111460

FAQ

What are the physical and chemical properties of ophiopojaponin C (CAS: 911819-08-4)?

Ophiopojaponin C (CAS: 911819-08-4) is a crystalline compound with a molecular weight of approximately 1052.92 g/mol. It has a low solubility in water but is more soluble in polar solvents such as methanol and ethanol. Chemically, it is relatively stable under normal conditions but can react with strong acids or bases. Its crystalline form is monoclinic with a specific melting point of around 220°C. It is a natural product with limited reactivity under normal laboratory conditions.

How is ophiopojaponin C (CAS: 911819-08-4) typically synthesized?

Ophiopojaponin C (CAS: 911819-08-4) is typically synthesized through bio-synthetic pathways involving fungal or plant extracts. Chemical synthesis can also be achieved through complex multi-step reactions involving coupling, esterification, and condensation steps. The yield is moderate, and selectivity can be improved with specific catalysts and reagents. Commonly used solvents include acetonitrile and dichloromethane.

What industries use ophiopojaponin C (CAS: 911819-08-4)?

Ophiopojaponin C (CAS: 911819-08-4) is primarily used in the pharmaceutical industry for its potential biological activities, including anti-inflammatory and antitumor properties. It is also explored in the natural product chemistry field for its structural complexity and biological interest. Limited applications are found in food additives and cosmetics due to its specialized nature.

What precautions should be taken when handling ophiopojaponin C (CAS: 911819-08-4)?

When handling ophiopojaponin C (CAS: 911819-08-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood due to the potential for inhalation. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal instructions. Storage should be in a cool, dark place away from direct sunlight and heat sources.