Vinaginsenoside R4

C₄₈H₈₂O₁₉CAS 156009-80-2963.17 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkene Ether

Properties

Molecular formula: C₄₈H₈₂O₁₉
Molar mass: 963.17 g/mol
Exact mass: 962.5450 Da
logP: -1.06Crippen estimate
Polar surface area: 318.4 Å²
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

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

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