| SpectraBase Compound ID | 7GgSLrp3f17 |
|---|---|
| InChI | InChI=1S/C86H106O31/c1-51(87)101-49-61-63(92-4)66(93-5)75(96-8)83(110-61)114-71-67(94-6)77(98-10)85(117-73(71)80(90)106-46-58-38-26-16-27-39-58)113-65-62(50-102-52(2)88)111-86(79(70(65)108-53(3)89)105-45-57-36-24-15-25-37-57)115-72-68(95-7)76(97-9)84(116-74(72)81(91)107-47-59-40-28-17-29-41-59)112-64-60(48-100-42-54-30-18-12-19-31-54)109-82(99-11)78(104-44-56-34-22-14-23-35-56)69(64)103-43-55-32-20-13-21-33-55/h12-41,60-79,82-86H,42-50H2,1-11H3/t60-,61-,62+,63-,64-,65+,66+,67-,68+,69+,70-,71-,72+,73-,74-,75-,76-,77+,78-,79+,82+,83-,84-,85+,86+/m0/s1 |
| InChIKey | IFPYWUUOMHLNNB-HTUJPXQRSA-N |
| Mol Weight | 1635.8 g/mol |
| Molecular Formula | C86H106O31 |
| Exact Mass | 1634.671807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Io4TCyWehPu |
|---|---|
| Name | IFPYWUUOMHLNNB-HTUJPXQRSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H106O31 |
| InChI | InChI=1S/C86H106O31/c1-51(87)101-49-61-63(92-4)66(93-5)75(96-8)83(110-61)114-71-67(94-6)77(98-10)85(117-73(71)80(90)106-46-58-38-26-16-27-39-58)113-65-62(50-102-52(2)88)111-86(79(70(65)108-53(3)89)105-45-57-36-24-15-25-37-57)115-72-68(95-7)76(97-9)84(116-74(72)81(91)107-47-59-40-28-17-29-41-59)112-64-60(48-100-42-54-30-18-12-19-31-54)109-82(99-11)78(104-44-56-34-22-14-23-35-56)69(64)103-43-55-32-20-13-21-33-55/h12-41,60-79,82-86H,42-50H2,1-11H3/t60-,61-,62+,63-,64-,65+,66+,67-,68+,69+,70-,71-,72+,73-,74-,75-,76-,77+,78-,79+,82+,83-,84-,85+,86+/m0/s1 |
| InChIKey | IFPYWUUOMHLNNB-HTUJPXQRSA-N |
| Literature Reference Author | J.BOOTSMA,G.WAGENAARS,E.DREEF,F.HOUT,E.KELLENBACH |
| Literature Reference Citation | MAGN.RES.CHEM.,39,288(2001) |
| Literature Reference DOI | 10.1002/mrc.836 |
| Molecular Weight | 1635.769 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24910 |