chempirical

Ginsenoside rk3

C36H60O8CAS 364779-15-7620.87 g/mol

Open in Covalent MOL file
HOOOOHOHHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H60O8
Molar mass
620.87 g/mol
Exact mass
620.4288 Da
logP
4.10Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
7
Stereocentres
S, R, R, R, R, R, S, 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
364779-15-7
SMILES
CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C
InChIKey
AVXFIVJSCUOFNT-QXPABTKOSA-N
InChI
InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10,21-32,37-42H,3,9,11-18H2,1-2,4-8H3/t21-,22-,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 rk3

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 rg6147419-93-087 % similar Ginsenoside rh163223-86-976 % similar Ginsenoside 20(R)-rh180952-71-276 % similar Ginsenoside rk2364779-14-675 % similar Ginsenoside rg122427-39-073 % similar Ginsenoside rf52286-58-572 % similar Ginsenoside F4181225-33-269 % similar Ginsenoside rg252286-74-567 % similar

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

Same formula

Ginsenoside rh4174721-08-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook