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Rebaudioside D

CAT: 0013-GTR19158070-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158070-02Size:200 mg
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Description
Rebaudioside D is a potential sweetener. Rebaudioside D shows similar stability when exposed to simulate stomach and small intestine fluids with susceptibility to hydrolytic degradation by enteric bacteria collected from the cecum.
CAS Number
63279-13-0
Purity
>98% (HPLC)
Solubility
DMSO:1mg/ml
Smiles
[H][C@@]12CC[C@@]3 (C[C@]1 (CC3=C) CC[C@]1 ([H]) [C@@] (C) (CCC[C@@]21C) C (=O) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) [C@H]1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C50H80O28
Molecular Weight
1129.2
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Rebaudioside D

Rebaudioside D is a rebaudioside that is rebaudioside A in which the hydroxy group at position 2 of the beta-D-glucosyl ester moiety has been converted to the corresponding beta-D-glucoside. Found in minute quantities in the leaves of Stevia rebaudiana. It has a role as a sweetening agent. It is a rebaudioside and a sophoroside. It is functionally related to a rebaudioside A, a rebaudioside E and a beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp.

CAS Number63279-13-0
PubChem CID71773169
IUPAC Name[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular FormulaC50H80O28
Molecular Weight1129.2
XLogP-4.4
Topological Polar Surface Area453
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count28
Rotatable Bond Count16
Heavy Atom Count78
Formal Charge0
Complexity2080
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O
InChI
InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1
InChIKey
RPYRMTHVSUWHSV-CUZJHZIBSA-N
Chemical Structure
2D Structure
2D structure of Rebaudioside D
CAS: 63279-13-0
CID: 71773169
Formula: C50H80O28
MW: 1129.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1129.2
XLogP3-4.4
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count28
Rotatable Bond Count16
Exact Mass1128.48361189
Monoisotopic Mass1128.48361189
Topological Polar Surface Area453 Ų
Heavy Atom Count78
Formal Charge0
Complexity2080
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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