chempirical

Ginsenoside K

C36H62O8CAS 39262-14-1622.88 g/mol

Open in Covalent MOL file
OOOHOHOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H62O8
Molar mass
622.88 g/mol
Exact mass
622.4445 Da
Melting point
181–183 °C
logP
4.32Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
7
Stereocentres
S, S, R, S, S, R, S, R, R, R, R, R, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
39262-14-1
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]3CC[C@]12C
InChIKey
FVIZARNDLVOMSU-IRFFNABBSA-N
InChI
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • β-D-Glucopyranoside, (3β,12β)-3,12-dihydroxydammar-24-en-20-yl
  • (3β,12β)-3,12-Dihydroxydammar-24-en-20-yl β-D-glucopyranoside
  • 20-O-β-D-Glucopyranosyl-20(S)-protopanaxadiol
  • IH 901
  • Protopanaxadiol 20-O-glucoside
  • 20(S)-Protopanaxadiol 20-O-D-glucopyranoside
  • Ginsenoside C-K
  • 20-O-β-Glucopyranosyl-20(S)-protopanaxadiol
  • Ginsenoside compound K
  • 20(S)-Protopanaxadiol 20-O-β-D-glucopyranoside
  • Ginsenoside IH901
  • Ginsenoside M1
  • Ginsenoside metabolite M1
  • Compound k
  • 3-O-Deglucosylginsenoside F2
  • LCHK 168
  • 20S-Protopanaxadiol 20-O-β-D-glucopyranoside
  • NT3 VAN SC6

Work with Ginsenoside K

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 F262025-49-486 % similar Ginsenoside F153963-43-284 % similar Ginsenoside rg122427-39-083 % similar Ginsenoside rd52705-93-880 % similar Gypenoside XVII80321-69-379 % similar Notoginsenoside fe88105-29-779 % similar Gypenoside IX80321-63-776 % similar Ginsenoside rd283480-64-276 % similar

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

Same formula

20(R)-Ginsenoside112246-15-8 Ginsenoside rh278214-33-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook