(3beta,5beta,12beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydro xycard-20(22)-enolide

Basic Information

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CAS Number

17598-65-1

Molecular Formula

C47H74O19

Molecular Weight

943.09 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

Melting Point

220-235°C

Boiling Point

732.1°C (rough estimate)

Solubility

Methanol; DMSO

Refractive Index

1.6500 (estimate)

Specific Rotation

D20 +12° (c = 1.084 in 75% alc)

SMILES

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CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O

InChI

InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1

InChIKey

OBATZBGFDSVCJD-LALPQLPRSA-N

LogP

0.04230000000000744

Topological Polar Surface Area

282.21 Å²

Hydrogen Bond Donor/Acceptor

9 / 19

Complexity

1760

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Desacetyl Lanatoside
UNII-YGY317RK75
(3beta,5beta,12beta)-3-((beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
Deslanoside (JP17/USP/INN)
BRN 0078187
Deslanosido [INN-Spanish]
DB01078
Deacetylanatoside C
3beta-(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-beta-D-digitoxosyloxy-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolid
NCGC00159441-02
DESLANOSIDE [INN]
Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
DESLANOSIDE [VANDF]
3beta-(beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide
EN300-23839400
Lanatoside, Desacetyl
4-18-00-02455 (Beilstein Handbook Reference)
3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide
Cedilanid-D
3beta-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide
DESLANOSIDE [MART.]
glucodigoxin
HY-A0154
NCGC00159441-03
Deslanosidum [INN-Latin]
DESLANOSIDE (USP-RS)
OBATZBGFDSVCJD-LALPQLPRSA-N
Desace
Deslanosidum (INN-Latin)
SCHEMBL125311
Deslanosido

MDL Number

MFCD00135818

FAQ

What are the physical and chemical properties of (3beta,5beta,12beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydro xycard-20(22)-enolide (CAS: 17598-65-1)?

The compound is a crystalline substance with a molecular weight of approximately 1494.4 g/mol. It has limited water solubility and is poorly soluble in common organic solvents. Its reactivity is moderate, showing some susceptibility to hydrolysis and oxidation. It can be stored in a cool, dry place away from light.

How is (3beta,5beta,12beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydro xycard-20(22)-enolide (CAS: 17598-65-1) typically synthesized?

The compound is synthesized through a multi-step process involving glycosylation reactions, using specific catalysts to achieve high selectivity. The yield is moderately high, and the process requires careful control of reaction conditions to ensure purity and quality.

What industries use (3beta,5beta,12beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydro xycard-20(22)-enolide (CAS: 17598-65-1)?

This compound has potential applications in the pharmaceutical industry for its complex sugar structure, which may be used in the development of novel drugs. It may also find use in the polymer industry for specific molecular properties, and in sensor technology for its unique chemical reactivity.

What precautions should be taken when handling (3beta,5beta,12beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydro xycard-20(22)-enolide (CAS: 17598-65-1)?

Handling this compound requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a fume hood to minimize exposure. In case of spill, spill kits should be used, and the area should be cleaned thoroughly. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.