chempirical

Pseudoginsenoside rt5

C36H62O10CAS 98474-78-3654.88 g/mol

Open in Covalent MOL file
OHOHOOOOHOHHOHOOH
AcetalAlcoholEther

Properties

Molecular formula
C36H62O10
Molar mass
654.88 g/mol
Exact mass
654.4343 Da
logP
2.51Crippen estimate
Polar surface area
169.3 Ų
H-bond donors / acceptors
7 / 10
Rotatable bonds
5
Stereocentres
S, 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
98474-78-3
SMILES
C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C
InChIKey
PSOUXXNNRFNUAY-JLXGCTMESA-N
InChI
InChI=1S/C36H62O10/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8)14-11-24(46-36)32(3,4)43)9-13-34(25,6)35(22,7)16-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30+,33+,34+,35+,36-/m0/s1

Weigh it out

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

Work with Pseudoginsenoside rt5

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

Pseudoginsenoside F1169884-00-086 % similar Ginsenoside rg122427-39-072 % similar Ginsenoside F153963-43-265 % similar Ginsenoside rh163223-86-965 % similar Ginsenoside 20(R)-rh180952-71-265 % similar Ginsenoside re52286-59-664 % similar Ginsenoside rf52286-58-562 % similar Notoginsenoside R180418-24-262 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook