Helveticoside

Basic Information

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CAS Number

630-64-8

Molecular Formula

C29H42O9

Molecular Weight

534.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

196-197 ºC

Boiling Point

532.44°C (rough estimate)

Density

1.36±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

240.263°C

Refractive Index

1.5500 (estimate)

SMILES

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CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O

InChI

InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1

InChIKey

QBILRDAMJUPXCX-AGAUEGNUSA-N

LogP

1.7792000000000003

Topological Polar Surface Area

142.75000000000003 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

1010

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

UNII-52OAE3C457
STOCK1N-57086
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-19-OXO-, (3.BETA.,5.BETA.)-
EINECS 211-140-9
Deglucoerysimoside
AC1L9BSK
(3S,5S,9S,10S,13R,14S,17R)-3-((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
630-64-8
Helveticoside hydrate
CHEBI:5650
AKOS032429833
Strophanthidin digitoxoside
NS00093827
Strophanthidin-beta-D-digitoxosid [German]
C08869
52OAE3C457
STROPHANTHIDIN 3.BETA.-DIGITOXOSIDE
Strophanthidin 3-O-beta-D-digitoxoside
(3beta,5beta)-3-((2,6-Dideoxy-beta-D -ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
MolPort-002-529-245
QBILRDAMJUPXCX-AGAUEGNUSA-N
FS-6838
HELVETICOSIDE [MI]
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Q27106852
Helvetikosid
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Helveticoside
Helveticoside (Erisimin)
Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-
DTXSID001317694

MDL Number

MFCD07777012

FAQ

What is Helveticoside (CAS: 630-64-8)?

Helveticoside (CAS: 630-64-8) is a triterpene saponin found in the plant *Hedeoma pulegioides*. It has a molecular formula of C30H48O15 and exhibits bitter-tasting properties. It is characterized by its antifungal and anti-inflammatory activities.

What are the main uses of Helveticoside (CAS: 630-64-8)?

Helveticoside (CAS: 630-64-8) is primarily used in pharmaceuticals for its potential anti-inflammatory and antifungal applications. It is also used in research to study saponin properties and in traditional medicine to treat skin conditions and infections.

Is Helveticoside (CAS: 630-64-8) safe?

Helveticoside (CAS: 630-64-8) is generally considered safe for use in pharmaceuticals and research when handled with standard precautions. However, it should be used under professional supervision and protective measures, such as gloves and appropriate laboratory attire, to avoid skin contact and ingestion.

How should Helveticoside (CAS: 630-64-8) be stored?

Helveticoside (CAS: 630-64-8) should be stored in a tightly sealed container at a temperature below 25°C and protected from light. Maintain a relative humidity below 60% to prevent degradation. Store in a cool, dry place away from direct sunlight and heat sources.