Ginsenoside rg3

C42H72O13CAS 14197-60-5785.03 g/mol

Open in Covalent MOL file
OHOHOOOHOHHOOOHOHOHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H72O13
Molar mass
785.03 g/mol
Exact mass
784.4973 Da
Melting point
146–147 °C
logP
2.15Crippen estimate
Polar surface area
219.0 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
10
Stereocentres
S, S, R, R, R, R, R, S, R, R, S, S, R, S, R, S, S, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
14197-60-5
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-JBVRGBGGSA-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

13 names · show all
  • β-D-Glucopyranoside, (3β,12β)-12,20-dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • Dammar-24-ene-12β,20-diol, 3β-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-12,20-Dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • (20S)-Propanaxadiol
  • 20(S)-Ginsenoside-rg3
  • (3β,12β)-12,20-Dihydroxydammar-24-en-3-yl O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
  • 3-O-β-D-Glucopyranosyl-(1→2)-β-D-glucopyranosyldammar-24-ene-3β,12β,20S-triol
  • S-Ginsenoside rg3
  • Ginsenoside 20-rg3
  • 20S-Ginsenoside rg3
  • 20(S)-Rg3
  • Ginsenoside rg3s

Work with 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.

R-Ginsenoside rg338243-03-7Diastereomer

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

PubChem CAS Common Chemistry NIST WebBook