chempirical

Rebaudioside G

C38H60O18CAS 127345-21-5804.88 g/mol

Open in Covalent MOL file
OOOHHOOOOHHOHOOHOHOOOHOOHOHOH
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C38H60O18
Molar mass
804.88 g/mol
Exact mass
804.3780 Da
logP
-2.94Crippen estimate
Polar surface area
295.0 Ų
H-bond donors / acceptors
11 / 18
Rotatable bonds
9
Stereocentres
S, R, S, R, R, S, S, R, S, R, R, S, R, S, S, R, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
127345-21-5
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)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChIKey
OKPSCKUJXYCMPR-GXTBKCSKSA-N
InChI
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-28(48)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-29(49)30(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1

Weigh it out

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

Work with Rebaudioside G

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 A58543-16-192 % similar Rubusoside64849-39-491 % similar Rebaudioside M1220616-44-389 % similar Rebaudioside D63279-13-087 % similar Rebaudioside C63550-99-285 % similar Rebaudioside N1220616-46-582 % similar Steviolbioside41093-60-174 % similar Steviol471-80-741 % similar

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

Same formula

Stevioside57817-89-7 Rebaudioside B58543-17-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook