| SpectraBase Compound ID | GcSxcJvK2p7 |
|---|---|
| InChI | InChI=1S/C96H148N12O20/c1-25-29-125-81-61-41-63-47-70(98-94(118)106-74(34-54(7)8)86(110)102-78(38-58(15)16)90(114)122-22)49-65(82(63)126-30-26-2)43-67-51-72(100-96(120)108-76(36-56(11)12)88(112)104-80(40-60(19)20)92(116)124-24)52-68(84(67)128-32-28-4)44-66-50-71(99-95(119)107-75(35-55(9)10)87(111)103-79(39-59(17)18)91(115)123-23)48-64(83(66)127-31-27-3)42-62(81)46-69(45-61)97-93(117)105-73(33-53(5)6)85(109)101-77(37-57(13)14)89(113)121-21/h45-60,73-80H,25-44H2,1-24H3,(H,101,109)(H,102,110)(H,103,111)(H,104,112)(H2,97,105,117)(H2,98,106,118)(H2,99,107,119)(H2,100,108,120)/t73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 |
| InChIKey | GMFCSIPNGUSXFB-ZISDTVHXSA-N |
| Mol Weight | 1790.3 g/mol |
| Molecular Formula | C96H148N12O20 |
| Exact Mass | 1789.093285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XAaLzj8bmD |
|---|---|
| Name | GMFCSIPNGUSXFB-ZISDTVHXSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H148N12O20 |
| InChI | InChI=1S/C96H148N12O20/c1-25-29-125-81-61-41-63-47-70(98-94(118)106-74(34-54(7)8)86(110)102-78(38-58(15)16)90(114)122-22)49-65(82(63)126-30-26-2)43-67-51-72(100-96(120)108-76(36-56(11)12)88(112)104-80(40-60(19)20)92(116)124-24)52-68(84(67)128-32-28-4)44-66-50-71(99-95(119)107-75(35-55(9)10)87(111)103-79(39-59(17)18)91(115)123-23)48-64(83(66)127-31-27-3)42-62(81)46-69(45-61)97-93(117)105-73(33-53(5)6)85(109)101-77(37-57(13)14)89(113)121-21/h45-60,73-80H,25-44H2,1-24H3,(H,101,109)(H,102,110)(H,103,111)(H,104,112)(H2,97,105,117)(H2,98,106,118)(H2,99,107,119)(H2,100,108,120)/t73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 |
| InChIKey | GMFCSIPNGUSXFB-ZISDTVHXSA-N |
| Literature Reference Author | A.M.RINCON,P.PRADOS,J.D.MENDOZA |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,3493(2001) |
| Literature Reference DOI | 10.1021/ja0036054 |
| Molecular Weight | 1790.300 g/mol |
| Solvent | C8D10 |
| Source File Reference | UWLU30510 |