chempirical

Mogroside iva

C54H92O24CAS 88901-41-11125.31 g/mol

Open in Covalent MOL file
OHOOOOHOHOOHOHOHOHOHOOOOOHOHHOHOHOHOOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C54H92O24
Molar mass
1125.31 g/mol
Exact mass
1124.5979 Da
logP
-3.23Crippen estimate
Polar surface area
397.5 Ų
H-bond donors / acceptors
16 / 24
Rotatable bonds
17
Stereocentres
R, R, S, R, S, S, R, R, R, S, S, R, R, S, R, R, R, S, R, S, R, R, S, S, R, 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
88901-41-1
SMILES
C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)[C@H]3CC[C@@]4([C@@]3(C[C@H]([C@@]5([C@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C)O)C)C
InChIKey
OKGRRPCHOJYNKX-APMSXLJSSA-N
InChI
InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)78-49-45(69)41(65)37(61)29(76-49)21-72-47-43(67)39(63)35(59)27(19-56)74-47)23-15-16-52(6)30-12-10-24-25(54(30,8)31(57)17-53(23,52)7)11-14-32(50(24,2)3)77-48-44(68)40(64)36(60)28(75-48)20-71-46-42(66)38(62)34(58)26(18-55)73-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,52+,53-,54+/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Mogroside IV-A

Work with Mogroside iva

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

Mogroside V88901-36-494 % similar Neomogroside89590-98-794 % similar Mogroside III-E88901-37-587 % similar Scabioside C17233-22-642 % similar Saikosaponin F62687-63-242 % similar Asperosaponin VI39524-08-839 % similar Hederacolchiside A1106577-39-339 % similar Pulsatilla saponin D68027-15-639 % similar

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

Same formula

Siamenoside I126105-12-2 Mogroside iv88915-64-4 Mogroside iv89590-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook