chempirical

Rebaudioside C

C44H70O22CAS 63550-99-2951.02 g/mol

Open in Covalent MOL file
OOOOHOHOHOHOOHOHOOOOHOHHOHOOOOHOHOH
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C44H70O22
Molar mass
951.02 g/mol
Exact mass
950.4359 Da
Melting point
186–188 °C
logP
-4.09Crippen estimate
Polar surface area
353.9 Ų
H-bond donors / acceptors
13 / 22
Rotatable bonds
11
Stereocentres
R, S, S, R, S, R, S, S, R, R, S, S, R, R, S, S, R, S, S, R, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
63550-99-2
SMILES
C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(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](C)[C@H](O)[C@@H](O)[C@H]1O)C3
InChIKey
QSRAJVGDWKFOGU-WBXIDTKBSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Kaur-16-en-18-oic acid, 13-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (4α)-
  • Dulcoside B

Work with Rebaudioside C

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rebaudioside N1220616-46-597 % similar Rebaudioside A58543-16-192 % similar Rebaudioside M1220616-44-389 % similar Rebaudioside D63279-13-087 % similar Stevioside57817-89-786 % similar Rebaudioside G127345-21-585 % similar Rubusoside64849-39-482 % similar Rebaudioside B58543-17-277 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook