chempirical

Ginsenoside rk2

C36H60O7CAS 364779-14-6604.87 g/mol

Open in Covalent MOL file
OOOHOHHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H60O7
Molar mass
604.87 g/mol
Exact mass
604.4339 Da
logP
5.13Crippen estimate
Polar surface area
119.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
7
Stereocentres
S, R, R, R, R, R, R, R, S, R, 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
364779-14-6
SMILES
CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)C
InChIKey
WMGBQZAELMGYNO-YMWSGFAJSA-N
InChI
InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10,22-32,37-41H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1

Weigh it out

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

Work with Ginsenoside rk2

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

Ginsenoside rk3364779-15-775 % similar 20(R)-Ginsenoside112246-15-875 % similar Ginsenoside rh278214-33-275 % similar Ginsenoside rg5186763-78-073 % similar Ginsenoside F262025-49-472 % similar Ginsenoside rg314197-60-571 % similar R-Ginsenoside rg338243-03-771 % similar Ginsenoside rd52705-93-868 % similar

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

Same formula

Ginsenoside rh3105558-26-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook