(3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside

Basic Information

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CAS Number

55659-75-1

Molecular Formula

C45H72O17

Molecular Weight

885.05 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

Density

1.42±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (9.7E-4 g/L) (25 ºC),

SMILES

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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,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

OLAMGHNQGZIWHZ-YIKYYZBWSA-N

LogP

0.21410000000000662

Topological Polar Surface Area

255.90999999999994 Å²

Hydrogen Bond Donor/Acceptor

9 / 17

Complexity

1620

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

CHEMBL2207416
MS-31641
Q27106367
55659-75-1
UNII-39Y54R152I
(3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside
39Y54R152I
2-[4-Hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-
DTXSID701319158
AKOS040756438
3-O-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCOPYRANOSIDE-DIOSGENIN
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-
Deltonin
HY-N2283
CS-0019612
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CHEBI:4389
C08894
LogP
b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1&reg
3-O-beta-D-Glucopyranosyl(1→4)-[alpha-L-rhamnopyranosyl(1→2)]-beta-D-glucopyranoside-diosgenin
3-O-β-D-Glucopyranosyl-(1→4)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranoside-diosgenin

MDL Number

MFCD26145166

FAQ

What are the physical and chemical properties of (3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 55659-75-1)?

(3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside is a sterol derivative with a molecular weight of approximately 678.8 g/mol. It is a white, crystalline powder with limited solubility in water and moderate solubility in organic solvents. The compound is relatively stable under normal conditions but exhibits reactivity towards strong acid and base conditions. It is not flammable and does not typically pose a fire hazard.

How is (3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 55659-75-1) typically synthesized?

(3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside can be synthesized through a multi-step process involving glycosylation reactions, protected sterol intermediates, and subsequent deprotection. Commonly used catalysts include Lewis acids and organometallic compounds. The synthetic route typically yields 70-80% purity with good stereoselectivity and yield.

What industries use (3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 55659-75-1)?

(3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside is primarily used in the pharmaceutical industry for the development of cholesterol-lowering drugs. It is also of interest in the polymer and sensor industries due to its unique chemical structure and potential applications in biocompatible materials and biosensors.

What precautions should be taken when handling (3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 55659-75-1)?

When handling (3beta,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside, it is important to wear personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.