Solamargine | CAS No. 20311-51-7

Solamargine

Basic Information

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CAS Number

20311-51-7

Molecular Formula

C45H73NO15

Molecular Weight

868.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

Methanol

Refractive Index

1.618

SMILES

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OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

InChI

InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChIKey

MBWUSSKCCUMJHO-ZGXDEBHDSA-N

LogP

0.8147000000000066

Topological Polar Surface Area

238.47999999999996 Å²

Hydrogen Bond Donor/Acceptor

9 / 16

Complexity

1610

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[6-deoxy-a-L-mannopyranosyl-(1?4)]-
2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-
b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
Solamargine
b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-
b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&amp
Solamargin
SOLAMERGINE
δ-Solanigrine
NSC 407810
(3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-4)]-beta-D-glucopyranoside
beta-Solamarine
8KG991E7BN
Solamargin;
A-Solanigrine
DB12700
N1375
C10819
α-Solamargine,δ-Solanigrine,Solamargin

MDL Number

MFCD30207844

FAQ

What are the physical and chemical properties of Solamargine (CAS: 20311-51-7)?

Solamargine (CAS: 20311-51-7) is a white to off-white crystalline powder. Its molecular weight is approximately 451.47 g/mol. It is slightly soluble in water and ethanol. Solamargine is relatively stable under normal conditions but may degrade when exposed to light and heat. It exhibits weak basicity and reacts with acids to form salts. Solamargine shows potential in natural product research and drug discovery.

How is Solamargine (CAS: 20311-51-7) typically synthesized?

Solamargine (CAS: 20311-51-7) can be synthesized through a multi-step process involving condensation, ring closure, and deprotection reactions. Commonly, the total synthesis involves the use of Grignard reagents and transition metal catalysts. The yields are generally moderate to good, and the reaction selectivity is high, making the synthesis suitable for laboratory and industrial-scale production.

What industries use Solamargine (CAS: 20311-51-7)?

Solamargine (CAS: 20311-51-7) is primarily used in the pharmaceutical industry for its potential anti-cancer and anti-inflammatory properties. It is also of interest in natural product chemistry and drug discovery. In addition, Solamargine has applications in the cosmetic industry for its antioxidant and anti-aging effects. Research is ongoing in the areas of polymers and advanced materials, exploring its potential in these fields.

What precautions should be taken when handling Solamargine (CAS: 20311-51-7)?

When handling Solamargine (CAS: 20311-51-7), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat. Work in a well-ventilated area or a fume hood to minimize inhalation risk. In the event of a spill, contain the spill with absorbent material and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.