chempirical

Ginsenoside rh2

C36H62O8CAS 78214-33-2622.88 g/mol

Open in Covalent MOL file
OHOHOOOHOHHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H62O8
Molar mass
622.88 g/mol
Exact mass
622.4445 Da
Melting point
139–144 °C
logP
4.32Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
7
Stereocentres
S, S, R, R, R, R, R, S, R, R, S, S, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
78214-33-2
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@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChIKey
CKUVNOCSBYYHIS-IRFFNABBSA-N
InChI
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/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

8 names
  • β-D-Glucopyranoside, (3β,12β)-12,20-dihydroxydammar-24-en-3-yl
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-12,20-Dihydroxydammar-24-en-3-yl β-D-glucopyranoside
  • 3-O-β-D-Glucopyranosyl-20(S)-protopanaxadiol
  • 20(S)-Ginsenoside rh2
  • 20(S)-Rh2
  • Ginsenoside 20-rh2
  • Ginsenoside rh2(S)

Work with Ginsenoside rh2

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

20(R)-Ginsenoside112246-15-8Diastereomer

Similar compounds

Ginsenoside rg314197-60-595 % similar R-Ginsenoside rg338243-03-795 % similar Notoginsenoside ft1155683-00-484 % similar Ginsenoside F262025-49-481 % similar Ginsenoside rd52705-93-878 % similar Ginsenoside rh163223-86-975 % similar Ginsenoside 20(R)-rh180952-71-275 % similar Ginsenoside rk2364779-14-675 % similar

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

Same formula

Ginsenoside K39262-14-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook