Vinaginsenoside R4

C48H82O19CAS 156009-80-2963.17 g/mol

Open in Covalent MOL file
OOHOOHOHOOHOOHOHOHHOOHOOHOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C48H82O19
Molar mass
963.17 g/mol
Exact mass
962.5450 Da
logP
-1.06Crippen estimate
Polar surface area
318.4 Ų
H-bond donors / acceptors
13 / 19
Rotatable bonds
13
Stereocentres
S, S, R, R, R, R, R, S, R, R, S, R, R, S, S, R, S, R, S, S, R, S, 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.

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Identifiers

CAS number
156009-80-2
SMILES
CC(=CCC[C@@](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@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
InChIKey
UOJAEODBOCLNBU-GYMUUCMZSA-N
InChI
InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(44(3,4)40(45)24(53)17-47(28,46)7)65-43-39(36(59)33(56)27(20-51)64-43)66-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3/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

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Names and synonyms

1 names
  • Vina-ginsenoside R4

Work with Vinaginsenoside R4

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 rd52705-93-886 % similar Ginsenoside F153963-43-281 % similar Ginsenoside rc11021-14-080 % similar Ginsenoside rb141753-43-980 % similar Ginsenoside F262025-49-480 % similar Ginsenoside rb211021-13-977 % similar Ginsenoside rb368406-26-877 % similar Ginsenoside re52286-59-676 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mogroside III-E88901-37-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook