chempirical

Ginsenoside 20(R)-rh1

C36H62O9CAS 80952-71-2638.88 g/mol

Open in Covalent MOL file
HOOOOHOHHOHOOHOH
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
R, S, R, R, R, R, R, S, R, R, S, R, R, S, S, Rin SMILES atom 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
80952-71-2
SMILES
CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C
InChIKey
RAQNTCRNSXYLAH-PQYWRUIPSA-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

1 names
  • (R) -Ginsenoside rh1

Work with Ginsenoside 20(R)-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 rh163223-86-9Diastereomer

Similar compounds

Ginsenoside rf52286-58-595 % similar Ginsenoside rg252286-74-588 % similar 20R-Ginsenoside rg280952-72-388 % similar Notoginsenoside R280418-25-384 % similar Ginsenoside rg122427-39-081 % similar Ginsenoside rk3364779-15-776 % similar 20(R)-Ginsenoside112246-15-875 % similar Ginsenoside rh278214-33-275 % similar

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

Same formula

Ginsenoside F153963-43-2

Elsewhere

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