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Danmelittoside

CAT: 0013-GTR19155557-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155557-04Size:1 g
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Description
Danmelittoside is a natural product.
CAS Number
20633-72-1
Product Name Alternative
Danmelittoside
Purity
>98% (HPLC)
Smiles
O[C@@] ([C@@H]1O) (C=CO2) [C@] (C (CO) =C1) ([H]) [C@@H]2O[C@] ([C@@H] ([C@@H] (O) [C@@H]3O) O) ([H]) O[C@@H]3CO
Molecular Formula
C15H22O10
Molecular Weight
362.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Monomelittoside

Monomelittoside has been reported in Rehmannia glutinosa, Campylanthus glaber, and other organisms with data available.

CAS Number20633-72-1
PubChem CID11968396
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC15H22O10
Molecular Weight362.33
XLogP-4.1
Topological Polar Surface Area169
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity550
SMILES
C1=CO[C@H]([C@H]2[C@@]1([C@@H](C=C2CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H22O10/c16-4-6-3-8(18)15(22)1-2-23-13(9(6)15)25-14-12(21)11(20)10(19)7(5-17)24-14/h1-3,7-14,16-22H,4-5H2/t7-,8-,9+,10-,11+,12-,13+,14+,15-/m1/s1
InChIKey
WVHRUHMGDQLMBZ-KRWIWSHESA-N
Chemical Structure
2D Structure
2D structure of Monomelittoside
CAS: 20633-72-1
CID: 11968396
Formula: C15H22O10
MW: 362.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.33
XLogP3-4.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass362.12129689
Monoisotopic Mass362.12129689
Topological Polar Surface Area169 Ų
Heavy Atom Count25
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5759770Danmelittoside

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