Cucurbitacin E

Basic Information

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CAS Number

18444-66-1

Molecular Formula

C32H44O8

Molecular Weight

556.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

228-234°C

Boiling Point

545.56°C (rough estimate)

Solubility

DMSO: soluble15mg/mL, clear

Refractive Index

1.4900 (estimate)

Specific Rotation

D -59° (c = 0.7 in chloroform)

SMILES

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CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C

InChI

InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey

NDYMQXYDSVBNLL-MUYMLXPFSA-N

LogP

4.190200000000003

Topological Polar Surface Area

138.20000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

1270

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

-20℃

Toxicity

LD50 orally in mice: 340 mg/kg (Albert)

Synonyms & References

English

Cucurbitacin E
[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-Dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
19-Norlanosta-1,5,23-triene-3,11,22-trione,25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9b,10a,16a,23E)-
CUCURBITACIN E(P)
25-acetate
A-ELATERIN
CUCURBITACIN E(SH)
cucurbitacine-e
α-Elaterin
α-Elaterine
ALPHA-ELATERIN
alpha-elaterine
CUCURBITACIN E hplc
CUCURBITACIN E WITH HPLC
ELATERIN, ALPHA
V8A45XYI21
Cucurbitacine E
.alpha.-Elaterin
.alpha.-Elaterine
CUE
Cucurbitacin-E
NSC106399
α-Elaterin,Cucurbitacine E,α-Elaterine

MDL Number

MFCD00135936

Customs Code

29153900

FAQ

What is Cucurbitacin E (CAS: 18444-66-1)?

Cucurbitacin E is a triterpenoid compound found in plants of the Cucurbitaceae family. Its chemical formula is C30H46O3. It has a bitter taste and is known for its anti-inflammatory and antitumor properties.

What are the main uses of Cucurbitacin E (CAS: 18444-66-1)?

Cucurbitacin E has potential applications in pharmaceuticals for its anti-inflammatory and antitumor effects. It is also used in natural product research to study its biological activities and in food science as a natural flavor additive.

Is Cucurbitacin E (CAS: 18444-66-1) safe?

Cucurbitacin E is generally considered safe when used in appropriate concentrations. However, it may cause irritation if ingested in large quantities. Proper handling and storage, as per safety guidelines, are recommended to ensure safety.

How should Cucurbitacin E (CAS: 18444-66-1) be stored?

Cucurbitacin E should be stored in a cool, dry place away from direct sunlight. Keep the container tightly sealed to prevent moisture absorption. Store at room temperature (15-25°C) and avoid temperatures above 30°C to maintain stability.