Monascus red

C₉₅H₁₅₁N₅O₃₀CAS 874807-57-51843.26 g/mol

Open in Covalent MOL file

Alkene Carbamate Ester

Properties

Molecular formula: C₉₅H₁₅₁N₅O₃₀
Molar mass: 1843.26 g/mol
Exact mass: 1842.0444 Da
logP: 15.19Crippen estimate
Polar surface area: 454.6 Å²
H-bond donors / acceptors: 5 / 30
Rotatable bonds: 41

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

874807-57-5

SMILES

CC(C)C(COC(=O)C=CC(=O)OC(C)C)NC(=O)OCC1CCCCC1.CC(C)C(COC(=O)C=CC(=O)OC(C)C)NC(=O)OCC1=CC=CC=C1.CC(C)C(COC(=O)C=CC(=O)OC(C)C)NC(=O)OC1CCCCC1.CC(C)C(COC(=O)C=CC(=O)OC(C)C)NC(=O)OC1CCCCC1.CC(C)C(COC(=O)C=CC(=O)OC(C)C)NC(=O)OC(C)(C)C

InChIKey

LUNDURNDOGYRGA-UHFFFAOYSA-N

InChI

InChI=1S/C20H33NO6.C20H27NO6.2C19H31NO6.C17H29NO6/c2*1-14(2)17(13-25-18(22)10-11-19(23)27-15(3)4)21-20(24)26-12-16-8-6-5-7-9-16;2*1-13(2)16(20-19(23)26-15-8-6-5-7-9-15)12-24-17(21)10-11-18(22)25-14(3)4;1-11(2)13(18-16(21)24-17(5,6)7)10-22-14(19)8-9-15(20)23-12(3)4/h10-11,14-17H,5-9,12-13H2,1-4H3,(H,21,24);5-11,14-15,17H,12-13H2,1-4H3,(H,21,24);2*10-11,13-16H,5-9,12H2,1-4H3,(H,20,23);8-9,11-13H,10H2,1-7H3,(H,18,21)

Weigh it out

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

Work with Monascus red

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

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

Elsewhere

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