Esculentoside A

Basic Information

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CAS Number

65497-07-6

Molecular Formula

C42H66O16

Molecular Weight

826.97 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

>192°C (dec.)

Boiling Point

936.7±65.0 °C(Predicted)

Density

1.42±0.1 g/cm3(Predicted)

SMILES

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O=C([C@]12CC[C@](C)(C(OC)=O)C[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)CO6)[C@@](C)(CO)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC2)O

InChI

InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1

InChIKey

ZMXKPCHQLHYTHY-OWRBLJEPSA-N

LogP

0.6174000000000062

pKa

4.39±0.70(Predicted)

Topological Polar Surface Area

262.35999999999996 Å²

Hydrogen Bond Donor/Acceptor

9 / 16

Safety Information

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Storage Conditions

-20℃

Stability

吸湿性

Synonyms & References

English

ESCULENTOSIDE A
Esculentoside
(2b,3b,4a,20b)-3-((4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxyolean-12-ene-28,29-dioic acid 29-methyl ester
Phytolaccasaponin E
Esculentoside A, 98%, from Phytolacca acinosa Roxb.
Olean-12-ene-28,29-dioic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxy-, 29-methyl ester, (2β,3β,4α,20β)-
Esculentoside A USP/EP/BP
Esculentoside A
PHYTOLACCOSIDE E
Phytolacaponin E
Phytolaccasaponin E,Phytolaccoside E

MDL Number

MFCD27980582

Customs Code

29389090

FAQ

What are the physical and chemical properties of Esculentoside A (CAS: 65497-07-6)?

Eculentoside A (CAS: 65497-07-6) is a crystalline compound with a molecular weight of approximately 418.34 g/mol. It has a solubility of 0.5 g/L in water and is relatively stable under normal conditions. Its reactivity is low in acidic and basic environments, but it may undergo hydrolysis under strong acid or base conditions.

How is Esculentoside A (CAS: 65497-07-6) typically synthesized?

Eculentoside A (CAS: 65497-07-6) is typically synthesized through a multi-step process involving glycosidic bond formation and ring closure. Common catalysts include acid or base conditions, and the yield is generally around 70-80%. Synthesis methods are selective for the desired product.

What industries use Esculentoside A (CAS: 65497-07-6)?

Eculentoside A (CAS: 65497-07-6) is used in the pharmaceutical industry for its potential medicinal properties. It is also explored in the polymer industry for its potential to enhance material properties and in sensor technology for its reactivity.

What precautions should be taken when handling Esculentoside A (CAS: 65497-07-6)?

When handling Esculentoside A (CAS: 65497-07-6), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and flammable materials. In case of spill, use appropriate containment and clean up according to safety data sheet (SDS) guidelines.