chempirical

Ginsenoside rh1

C36H62O9CAS 63223-86-9638.88 g/mol

Open in Covalent MOL file
OHOHHOOOOHOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C36H62O9
Molar mass
638.88 g/mol
Exact mass
638.4394 Da
logP
3.30Crippen estimate
Polar surface area
160.1 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
7
Stereocentres
S, S, R, R, R, R, R, S, R, S, R, R, S, S, 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
63223-86-9
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[C@]12C
InChIKey
RAQNTCRNSXYLAH-RFCGZQMISA-N
InChI
InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,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

9 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl β-D-glucopyranoside
  • Prosapogenin A2
  • Sanchinoside B2
  • 20(S)-Ginsenoside rh1
  • Sanchinoside rh1
  • S-Ginsenoside rh1
  • Rh1 ginsenoside

Work with Ginsenoside rh1

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.

Ginsenoside 20(R)-rh180952-71-2Diastereomer

Similar compounds

Ginsenoside rf52286-58-595 % similar Ginsenoside rg252286-74-588 % similar 20R-Ginsenoside rg280952-72-388 % similar Notoginsenoside R280418-25-384 % similar 20(R)-Notoginsenoside R2948046-15-984 % similar Ginsenoside rg122427-39-081 % similar Ginsenoside rk3364779-15-776 % similar 20(R)-Ginsenoside112246-15-875 % similar

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

Same formula

Ginsenoside F153963-43-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook