Mogroside iv

C₅₄H₉₂O₂₄CAS 89590-95-41125.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkene Ether

Properties

Molecular formula: C₅₄H₉₂O₂₄
Molar mass: 1125.31 g/mol
Exact mass: 1124.5979 Da
logP: -3.23Crippen estimate
Polar surface area: 397.5 Å²
H-bond donors / acceptors: 16 / 24
Rotatable bonds: 17

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

89590-95-4

SMILES

CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C

InChIKey

WRPAFPPCKSYACJ-UHFFFAOYSA-N

InChI

InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)77-49-45(41(66)36(61)28(20-57)74-49)78-48-44(69)39(64)35(60)27(19-56)73-48)23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)40(65)37(62)29(75-47)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3

Weigh it out

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

Work with Mogroside iv

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.

Mogroside iv88915-64-4

Similar compounds

Mogroside V88901-36-4100 % similar Neomogroside89590-98-7100 % similar Mogroside III-E88901-37-593 % similar Saikosaponin F62687-63-243 % similar Picfeltarraenin ib97230-46-142 % similar Ginsenoside rc11021-14-041 % similar Ginsenoside rb141753-43-941 % similar Raddeanoside R8124961-61-141 % similar

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

Same formula

Siamenoside I126105-12-2 Mogroside iva88901-41-1

Elsewhere

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