chempirical

R-Ginsenoside rg3

C42H72O13CAS 38243-03-7785.03 g/mol

Open in Covalent MOL file
OHOHOOHOHOHOOOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H72O13
Molar mass
785.03 g/mol
Exact mass
784.4973 Da
Melting point
315–318 °C
logP
2.15Crippen estimate
Polar surface area
219.0 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
10
Stereocentres
R, S, R, R, R, R, R, S, R, R, S, S, R, S, R, S, S, R, R, 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
38243-03-7
SMILES
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChIKey
RWXIFXNRCLMQCD-CZIWJLDFSA-N
InChI
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42+/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • β-D-Glucopyranoside, (3β,12β,20R)-12,20-dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,12β,20R)-12,20-Dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • 20(R)-Propanaxadiol
  • 20(R)-Ginsenoside rg3
  • (3β,12β,20R)-12,20-Dihydroxydammar-24-en-3-yl O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
  • 20R-Ginsenoside rg3
  • Ginsenoside rg3(R)

Work with R-Ginsenoside rg3

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ginsenoside rg314197-60-5Diastereomer

Similar compounds

20(R)-Ginsenoside112246-15-895 % similar Ginsenoside rh278214-33-295 % similar Notoginsenoside ft1155683-00-489 % similar Ginsenoside rd52705-93-883 % similar Ginsenoside rc11021-14-077 % similar Ginsenoside rb141753-43-977 % similar Ginsenoside rf52286-58-576 % similar Ginsenoside rg5186763-78-076 % similar

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

Same formula

Ginsenoside rg252286-74-5 Ginsenoside F262025-49-4 20R-Ginsenoside rg280952-72-3

Elsewhere

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