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Rebaudioside C

CAT: 0013-GTR19158676-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158676-02Size:200 mg
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Description
Dulcoside B (Rebaudioside C) is a natural sweeteners used for diabetics and others on carbohydrate-controlled diets.
CAS Number
63550-99-2
Product Name Alternative
Dulcoside B
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 40 mg/mL; 42.06 mM
Smiles
[C@@H]12[C@@]3 (CC[C@@H]4[C@@] (CCC[C@@]14C) (C (=O) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) O) C) CC (=C) [C@@] (CC2) (C3) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) O[C@H]1[C@@H] ([C@@H] ([C@H] ([C@@H] (O1) C) O) O) O) O
Molecular Formula
C44H70O22
Molecular Weight
951.02
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Rebaudioside C

rebaudioside c has been reported in Stevia rebaudiana with data available.

CAS Number63550-99-2
PubChem CID60208888
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular FormulaC44H70O22
Molecular Weight951.0
XLogP-2.3
Topological Polar Surface Area354
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count12
Heavy Atom Count66
Formal Charge0
Complexity1740
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@]34CC[C@H]5[C@@]6(CCC[C@@]([C@H]6CC[C@]5(C3)CC4=C)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O
InChI
InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43+,44-/m0/s1
InChIKey
QSRAJVGDWKFOGU-WBXIDTKBSA-N
Chemical Structure
2D Structure
2D structure of Rebaudioside C
CAS: 63550-99-2
CID: 60208888
Formula: C44H70O22
MW: 951.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight951.0
XLogP3-2.3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count12
Exact Mass950.43587386
Monoisotopic Mass950.43587386
Topological Polar Surface Area354 Ų
Heavy Atom Count66
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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