Notoginsenoside R2

C41H70O13CAS 80418-25-3771.00 g/mol

Open in Covalent MOL file
OHOHHOOOOHOHHOOOHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C41H70O13
Molar mass
771.00 g/mol
Exact mass
770.4816 Da
logP
1.76Crippen estimate
Polar surface area
219.0 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
9
Stereocentres
S, S, R, R, R, R, R, S, R, S, R, R, S, S, R, S, R, S, R, 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
80418-25-3
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@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
InChIKey
FNIRVWPHRMMRQI-PGOMJGFXSA-N
InChI
InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl-
  • (3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • Ginsenoside ng-R2
  • 20(S)-Notoginsenoside R2

Work with Notoginsenoside R2

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)-Notoginsenoside R2948046-15-9Diastereomer

Similar compounds

Ginsenoside rf52286-58-589 % similar Ginsenoside rh163223-86-984 % similar Ginsenoside 20(R)-rh180952-71-284 % similar Notoginsenoside R180418-24-283 % similar Ginsenoside rg252286-74-583 % similar 20R-Ginsenoside rg280952-72-383 % similar Notoginsenoside ft1155683-00-478 % similar Ginsenoside re52286-59-670 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ginsenoside F362025-50-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook