chempirical

Ginsenoside rf

C42H72O14CAS 52286-58-5801.02 g/mol

Open in Covalent MOL file
OHOHHOOOOHOHHOOOOHHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H72O14
Molar mass
801.02 g/mol
Exact mass
800.4922 Da
logP
1.12Crippen estimate
Polar surface area
239.2 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
10
Stereocentres
S, S, R, R, R, R, R, S, R, S, R, R, S, S, R, S, R, S, S, R, Rin SMILES atom order

Identifiers

CAS number
52286-58-5
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(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](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
InChIKey
UZIOUZHBUYLDHW-XUBRWZAZSA-N
InChI
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,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

5 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-β-D-glucopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Panaxoside rf
  • Rf ginsenoside

Work with Ginsenoside rf

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 rh163223-86-995 % similar Ginsenoside rg252286-74-593 % similar Notoginsenoside R280418-25-389 % similar Ginsenoside re52286-59-678 % similar Ginsenoside rg314197-60-576 % similar R-Ginsenoside rg338243-03-776 % similar Notoginsenoside R180418-24-276 % similar Ginsenoside rg6147419-93-073 % similar

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

Same formula

Ginsenoside rg122427-39-0 Pseudoginsenoside F1169884-00-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook