| SpectraBase Compound ID | AOrhfx8rItV |
|---|---|
| InChI | InChI=1S/C86H92O18S/c1-61(87)90-57-71-75(91-48-62-30-12-3-13-31-62)78(94-51-65-36-18-6-19-37-65)81(97-54-68-42-24-9-25-43-68)84(102-71)100-58-72-76(92-49-63-32-14-4-15-33-63)79(95-52-66-38-20-7-21-39-66)82(98-55-69-44-26-10-27-45-69)85(103-72)101-59-73-77(93-50-64-34-16-5-17-35-64)80(96-53-67-40-22-8-23-41-67)83(86(104-73)105-60-74(88)89-2)99-56-70-46-28-11-29-47-70/h3-47,71-73,75-86H,48-60H2,1-2H3/t71-,72+,73-,75-,76+,77-,78+,79-,80+,81-,82+,83-,84+,85-,86-/m0/s1 |
| InChIKey | MMSYFMYLJOGSEF-ASRSKZRFSA-N |
| Mol Weight | 1445.7 g/mol |
| Molecular Formula | C86H92O18S |
| Exact Mass | 1444.600437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IZtoWw4Z1N |
|---|---|
| Name | MMSYFMYLJOGSEF-ASRSKZRFSA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H92O18S |
| InChI | InChI=1S/C86H92O18S/c1-61(87)90-57-71-75(91-48-62-30-12-3-13-31-62)78(94-51-65-36-18-6-19-37-65)81(97-54-68-42-24-9-25-43-68)84(102-71)100-58-72-76(92-49-63-32-14-4-15-33-63)79(95-52-66-38-20-7-21-39-66)82(98-55-69-44-26-10-27-45-69)85(103-72)101-59-73-77(93-50-64-34-16-5-17-35-64)80(96-53-67-40-22-8-23-41-67)83(86(104-73)105-60-74(88)89-2)99-56-70-46-28-11-29-47-70/h3-47,71-73,75-86H,48-60H2,1-2H3/t71-,72+,73-,75-,76+,77-,78+,79-,80+,81-,82+,83-,84+,85-,86-/m0/s1 |
| InChIKey | MMSYFMYLJOGSEF-ASRSKZRFSA-N |
| Literature Reference Author | S.N.LAM,J.GERVAY-HAGUE |
| Literature Reference Citation | ORG.LETTERS,4,2039(2002) |
| Literature Reference DOI | 10.1021/ol025887d |
| Molecular Weight | 1445.726 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU35679 |