Steviolbioside

C32H50O13CAS 41093-60-1642.74 g/mol

Open in Covalent MOL file
OOHOOOHOHHOOOHOHOOHOH
AcetalAlcoholAlkeneCarboxylic acidEther

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 Ų
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

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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