Rubusoside

C32H50O13CAS 64849-39-4642.74 g/mol

Open in Covalent MOL file
OOOOHOHOHOHOOOHOHHOHO
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C32H50O13
Molar mass
642.74 g/mol
Exact mass
642.3251 Da
logP
-0.76Crippen estimate
Polar surface area
215.8 Ų
H-bond donors / acceptors
8 / 13
Rotatable bonds
6
Stereocentres
R, S, S, R, S, R, S, S, R, R, S, S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
64849-39-4
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]1O)C3
InChIKey
YWPVROCHNBYFTP-OSHKXICASA-N
InChI
InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/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

2 names
  • Kaur-16-en-18-oic acid, 13-(β-D-glucopyranosyloxy)-, β-D-glucopyranosyl ester, (4α)-
  • 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.

Work with Rubusoside

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 G127345-21-591 % similar Stevioside57817-89-790 % similar Rebaudioside A58543-16-189 % similar Rebaudioside M1220616-44-386 % similar Rebaudioside D63279-13-084 % similar Rebaudioside C63550-99-282 % similar Rebaudioside N1220616-46-579 % similar Rebaudioside B58543-17-272 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Steviolbioside41093-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook