Steviolbioside

C₃₂H₅₀O₁₃CAS 41093-60-1642.74 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkene Carboxylic acid Ether

Properties

Molecular formula: C₃₂H₅₀O₁₃
Molar mass: 642.74 g/mol
Exact mass: 642.3251 Da
Melting point: 188–192 °C
logP: -0.20Crippen estimate
Polar surface area: 215.8 Å²
H-bond donors / acceptors: 8 / 12
Rotatable bonds: 7
Stereocentres: R, S, S, R, R, S, S, R, S, S, R, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number

41093-60-1

SMILES

C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(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)C3

InChIKey

OMHUCGDTACNQEX-OSHKXICASA-N

InChI

InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1

Weigh it out

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

Names and synonyms

4 names

Kaur-16-en-18-oic acid, 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (4α)-
(4α)-13-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid
Steviobioside
Steviol-1,2-bioside

Work with Steviolbioside

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 B58543-17-293 % similar Stevioside57817-89-782 % similar Rebaudioside D63279-13-079 % similar Rebaudioside M1220616-44-377 % similar Rebaudioside A58543-16-177 % similar Rebaudioside G127345-21-574 % similar Rebaudioside N1220616-46-571 % similar Rebaudioside C63550-99-271 % similar

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

Same formula

Rubusoside64849-39-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook