chempirical

Ginsenoside rh3

C36H60O7CAS 105558-26-7604.87 g/mol

Open in Covalent MOL file
OHOOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H60O7
Molar mass
604.87 g/mol
Exact mass
604.4339 Da
logP
5.13Crippen estimate
Polar surface area
119.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
6
Stereocentres
S, R, R, R, R, R, S, R, R, S, S, R, R, Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
105558-26-7
SMILES
CC(C)=CC/C=C(/C)[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(C)(C)[C@@H]3CC[C@]12C
InChIKey
PHLXREOMFNVWOH-YAGNRYSRSA-N
InChI
InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11-/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • β-D-Glucopyranoside, (3β,12β,20Z)-12-hydroxydammara-20(22),24-dien-3-yl
  • (3β,12β,20Z)-12-Hydroxydammara-20(22),24-dien-3-yl β-D-glucopyranoside

Work with Ginsenoside rh3

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 rg5186763-78-093 % similar Ginsenoside rh4174721-08-574 % similar 20(R)-Ginsenoside112246-15-873 % similar Ginsenoside rh278214-33-273 % similar Ginsenoside F262025-49-473 % similar Ginsenoside rg314197-60-570 % similar R-Ginsenoside rg338243-03-770 % similar Ginsenoside rd52705-93-868 % similar

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

Same formula

Ginsenoside rk2364779-14-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook