Mogroside III-E

C48H82O19CAS 88901-37-5963.17 g/mol

Open in Covalent MOL file
OOHOHOOHOOHOOHOHOHHOOOOHOHHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C48H82O19
Molar mass
963.17 g/mol
Exact mass
962.5450 Da
logP
-1.06Crippen estimate
Polar surface area
318.4 Ų
H-bond donors / acceptors
13 / 19
Rotatable bonds
14
Stereocentres
R, R, S, R, S, S, R, S, R, S, S, R, R, S, S, R, S, R, R, S, S, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
88901-37-5
SMILES
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
InChIKey
QATISCJMIITVAB-CNEPTXDISA-N
InChI
InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)66-43-40(37(58)34(55)27(20-51)64-43)67-42-39(60)36(57)33(54)26(19-50)63-42)22-15-16-46(6)28-12-10-23-24(48(28,8)29(52)17-47(22,46)7)11-14-30(44(23,2)3)65-41-38(59)35(56)32(53)25(18-49)62-41/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,46+,47-,48+/m1/s1

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Names and synonyms

2 names
  • β-D-Glucopyranoside, (3β,9β,10α,11α,24R)-3-(β-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl 2-O-β-D-glucopyranosyl-
  • (3β,9β,10α,11α,24R)-3-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Work with Mogroside III-E

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

Siamenoside I126105-12-293 % similar Mogroside V88901-36-493 % similar Mogroside iv88915-64-493 % similar Mogroside iv89590-95-493 % similar Neomogroside89590-98-793 % similar Mogroside iva88901-41-187 % similar Picfeltarraenin ib97230-46-144 % similar Pseudoginsenoside F1169884-00-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vinaginsenoside R4156009-80-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook