chempirical

Wilforine

C43H49NO18CAS 11088-09-8867.85 g/mol

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AlcoholEsterEtherLactone

Properties

Molecular formula
C43H49NO18
Molar mass
867.85 g/mol
Exact mass
867.2950 Da
Melting point
158–163 °C
logP
2.16Crippen estimate
Polar surface area
252.8 Ų
H-bond donors / acceptors
1 / 19
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
11088-09-8
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)c1ccccc1)C2OC(C)=O)C4(C)O
InChIKey
ZOCKGJZEUVPPPI-UHFFFAOYSA-N
InChI
InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3

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

Names and synonyms

5 names
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione, 10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-
  • Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)-
  • (8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione, 10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-, [8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,21S*,22S*,23R*)]-
  • 26-Deoxywilfordine

Work with Wilforine

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

Wilforgine37239-47-786 % similar

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

Elsewhere

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