chempirical

20(R)-Ginsenoside

C36H62O8CAS 112246-15-8622.88 g/mol

Open in Covalent MOL file
OOOHOHHOHOOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H62O8
Molar mass
622.88 g/mol
Exact mass
622.4445 Da
logP
4.32Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
7
Stereocentres
R, S, R, R, R, R, R, R, R, S, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
112246-15-8
SMILES
CC(=CCC[C@](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)O)C
InChIKey
CKUVNOCSBYYHIS-SUEBGMEDSA-N
InChI
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36+/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 20R-Ginsenoside rh2

Work with 20(R)-Ginsenoside

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 rg314197-60-595 % similar R-Ginsenoside rg338243-03-795 % similar Notoginsenoside ft1155683-00-484 % similar Ginsenoside F262025-49-481 % similar Ginsenoside rd52705-93-878 % similar Ginsenoside rh163223-86-975 % similar Gypenoside xvii80321-69-375 % similar Notoginsenoside fe88105-29-775 % similar

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

Same formula

Ginsenoside K39262-14-1 Ginsenoside rh278214-33-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook