Cucurbitacin D

Basic Information

View in Editor

CAS Number

3877-86-9

Molecular Formula

C30H44O7

Molecular Weight

516.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

White

Melting Point

151.5°C

Boiling Point

521.47°C (rough estimate)

Density

1.0814 (rough estimate)

Flash Point

381.4±28.0 °C

Solubility

Soluble in ethanol and methan

Refractive Index

1.5820 (estimate)

SMILES

View in Editor

CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C

InChI

InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1

InChIKey

SRPHMISUTWFFKJ-QJNWWGCFSA-N

LogP

2.9285000000000014

pKa

12.66±0.29(Predicted)

Topological Polar Surface Area

132.13 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

1100

Safety Information

View Safety Information

Storage Conditions

2-8℃

Toxicity

LD50 oral in rat: 8200ug/kg

Synonyms & References

English

NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione
LMST01010106
3877-86-9
NSC308606
NSC 308606
AS-79683
Cucurbitacine (D)
HY-N1986
C08796
UNII-5I62H4ORC7
AKOS015896755
Q15410915
19-Norlanosta-5,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-
(23E)-2beta,16alpha,20,25-tetrahydroxy-10alpha-cucurbita-5,23-diene-3,11,22-trione
NSC-521776
(23E)-2beta,16alpha,20,25- tetrahydroxy-9beta-methyl-19-nor-10alpha-lanosta-5,23-diene-3,11,22-trione
19-nor-9.beta.,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-
5I62H4ORC7
CHEBI:3943
NSC521776
19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy-
Elatericin A
Cucurbitacin D (Elatericin A)
19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)-
NS00094066
CHEMBL493646
(2S,4R,23E)-2,16,20,25-tetrahydroxy-9beta,10,14-trimethyl-4,9-cyclo-9,10-seco-16alpha-cholesta-5,23-diene-1,11,22-trione
Cucurbitacin D
CS-0018307
NCGC00385253-01
SCHEMBL230654

MDL Number

MFCD01711333

Customs Code

29144000

FAQ

What is Cucurbitacin D (CAS: 3877-86-9)?

Cucurbitacin D is a triterpenoid compound known for its unique chemical structure. It has the chemical formula C30H44O3. Cucurbitacin D is found in various plants of the Cucurbitaceae family and is characterized by its bitter taste and potential biological activities.

What are the main uses of Cucurbitacin D (CAS: 3877-86-9)?

Cucurbitacin D has diverse applications due to its bioactive properties. It is used in pharmaceutical research for its anti-inflammatory and anti-cancer potential. In the food industry, it acts as a natural flavoring agent and bittering agent. Additionally, it is studied for its potential in functional foods and nutritional supplements.

Is Cucurbitacin D (CAS: 3877-86-9) safe?

Cucurbitacin D is generally considered safe when used in accordance with safety standards. However, it can be toxic in high concentrations, leading to gastrointestinal issues. Proper handling and storage are essential to avoid adverse effects. Protective gloves and eyewear are recommended when handling the compound.

How should Cucurbitacin D (CAS: 3877-86-9) be stored?

Cucurbitacin D should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation and contamination. The optimal storage temperature is between 15-25°C (59-77°F). Avoid storing it in high humidity or extreme temperatures to ensure stability and safety.