ChemicalBook--->CAS DataBase List--->630-64-8

630-64-8

630-64-8 Structure

630-64-8 Structure
IdentificationBack Directory
[Name]

ALLEOSIDE A
[CAS]

630-64-8
[Synonyms]

erizimin
ERYSIMIN
ERISIMIN
Alleoside
ErysiMine
ALLENOSIDE
ALLEOSIDE A
Allioside A
Helveticosid
erysimotoxin
helvetikosid
HELVETICOSIDE
deglucoerysimoside
HELVETICOSIDE HYDRATE
Strophanthidin 3β-digitoxoside
STROPHANTHIDIN 3BETA-DIGITOXOSIDE
Erisimin, Strophanthidin 3β-digitoxoside
card-20(22)-enolide,3-((2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy)-5,14-dihydr
3β-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β,14β-card-20(22)-enolide
20(22),5BETA-CARDENOLID-19-AL-3B 5BETA,14BETA-TRIOL-[(2,6-DIDEOXY-BETA-D-RIBOHEXOPYRANOSYL)OXY]
(3beta,5beta)-3-[(2,6-dideoxy-beta-D\-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
[EINECS(EC#)]

211-140-9
[Molecular Formula]

C29H42O9
[MDL Number]

MFCD07777012
[MOL File]

630-64-8.mol
[Molecular Weight]

534.64
Chemical PropertiesBack Directory
[Melting point ]

170°C (dec.)
[Boiling point ]

532.44°C (rough estimate)
[density ]

1.36±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

13.68±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

QBILRDAMJUPXCX-AGAUEGNUSA-N
[SMILES]

O[C@@]12[C@]3([H])CC[C@]4(O)C[C@@H](O[C@]5([H])O[C@H](C)[C@@H](O)[C@@H](O)C5)CC[C@]4(C([H])=O)[C@@]3([H])CC[C@]1(C)[C@@H](C(CO6)=CC6=O)CC2
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

26/27/28
[Safety Statements ]

22-36/37/39-45
[RIDADR ]

3249
[WGK Germany ]

WGK 3
[RTECS ]

FH4919830
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Hazard InformationBack Directory
[Uses]

Helveticoside is a candidate drug that induces a similar gene expression pattern.
[Definition]

ChEBI: Helveticoside is a cardenolide glycoside.
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