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Helveticoside

CAT: 0013-GTR19154471Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154471Size:5 mg
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Description
Helveticoside is a compound with a purity of > 98%, a CAS number of 630-64-8, and a molecular weight of 534.7.
CAS Number
630-64-8
Field of Research
Metabolism Research
Purity
> 98%
Molecular Formula
C29H42O9
Molecular Weight
534.7
Notes
For research use only.
Applications Notes
Steroids

Chemical Information

Helveticoside

Helveticoside is a cardenolide glycoside that consists of strophanthidin having a digitoxosyl group attached at position 3. It has a role as an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a steroid aldehyde, a steroid lactone, a digitoxoside, a 14beta-hydroxy steroid, a cardenolide glycoside, a 5beta-hydroxy steroid and a monosaccharide derivative. It is functionally related to a strophanthidin.

CAS Number630-64-8
PubChem CID441860
IUPAC Name(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
Molecular FormulaC29H42O9
Molecular Weight534.6
XLogP0.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1010
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(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
Chemical Structure
2D Structure
2D structure of Helveticoside
CAS: 630-64-8
CID: 441860
Formula: C29H42O9
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass534.28288291
Monoisotopic Mass534.28288291
Topological Polar Surface Area143 Ų
Heavy Atom Count38
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790014Helveticoside

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