chempirical

Notoginsenoside ft1

C47H80O17CAS 155683-00-4917.14 g/mol

Open in Covalent MOL file
OOOHOHHOOOOHHOHOOOHOOHOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C47H80O17
Molar mass
917.14 g/mol
Exact mass
916.5396 Da
logP
0.61Crippen estimate
Polar surface area
277.9 Ų
H-bond donors / acceptors
11 / 17
Rotatable bonds
12
Stereocentres
R, S, R, R, R, R, R, R, R, S, R, R, S, S, R, S, R, S, S, R, S, R, 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
155683-00-4
SMILES
CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)C)C)O)C)O)C
InChIKey
LLXVPTXOKTYXHU-UGGLCNOCSA-N
InChI
InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,58)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-41-38(35(55)33(53)26(19-48)60-41)64-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47+/m0/s1

Weigh it out

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

Work with Notoginsenoside ft1

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

Ginsenoside rg314197-60-589 % similar R-Ginsenoside rg338243-03-789 % similar 20(R)-Ginsenoside112246-15-884 % similar Ginsenoside rh278214-33-284 % similar Ginsenoside rb211021-13-978 % similar Ginsenoside rb368406-26-878 % similar Notoginsenoside R280418-25-378 % similar Ginsenoside rc11021-14-077 % similar

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

Same formula

Gypenoside IX80321-63-7 Ginsenoside rd283480-64-2 Notoginsenoside fe88105-29-7

Elsewhere

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