chempirical

Wilforgine

C41H47NO19CAS 37239-47-7857.82 g/mol

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Properties

Molecular formula
C41H47NO19
Molar mass
857.82 g/mol
Exact mass
857.2742 Da
Melting point
211 °C
logP
1.75Crippen estimate
Polar surface area
265.9 Ų
H-bond donors / acceptors
1 / 20
Rotatable bonds
8

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
37239-47-7
SMILES
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O
InChIKey
QFIYSPKZWOALMZ-UHFFFAOYSA-N
InChI
InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3

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Names and synonyms

3 names
  • 3-Furancarboxylic acid, (8R,9R,10R,11S,12R,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-21-hydroxy-8,18,21-trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridin-14-yl ester
  • Evonimine, 8-(acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)-, (8α)-
  • Wilforgin

Work with Wilforgine

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

Wilforine11088-09-886 % similar

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

Elsewhere

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