Ginsenoside re

C48H82O18CAS 52286-59-6947.17 g/mol

Open in Covalent MOL file
OOOHOHOHOHOHHOOOOHOHHOOOHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C48H82O18
Molar mass
947.17 g/mol
Exact mass
946.5501 Da
Melting point
200–203 °C
logP
-0.03Crippen estimate
Polar surface area
298.1 Ų
H-bond donors / acceptors
12 / 18
Rotatable bonds
12
Stereocentres
S, S, R, S, S, R, S, R, R, R, R, R, S, R, S, R, R, S, S, R, S, S, R, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
52286-59-6
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C
InChIKey
PWAOOJDMFUQOKB-WCZZMFLVSA-N
InChI
InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • β-D-Glucopyranoside, (3β,6α,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • (3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Chikusetsusaponin IVc
  • Ginsenoside B2
  • Panaxoside re
  • Sanchinoside re
  • NSC 308877
  • Notoginsenoside re
  • Re ginsenoside

Work with Ginsenoside re

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 rg122427-39-087 % similar Notoginsenoside R180418-24-285 % similar Ginsenoside rg252286-74-584 % similar 20R-Ginsenoside rg280952-72-384 % similar Ginsenoside F153963-43-279 % similar Ginsenoside rf52286-58-578 % similar Ginsenoside F4181225-33-276 % similar Vinaginsenoside R4156009-80-276 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ginsenoside rd52705-93-8 Gypenoside XVII80321-69-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook