| SpectraBase Compound ID | 8CvvQ1N46gX |
|---|---|
| InChI | InChI=1S/C81H132N6O60/c88-7-28-40(100)49(109)58(118)70(139-28)130-16-79(17-131-71-59(119)50(110)41(101)29(8-89)140-71,18-132-72-60(120)51(111)42(102)30(9-90)141-72)85-37(97)4-82-67(127)25-1-26(68(128)83-5-38(98)86-80(19-133-73-61(121)52(112)43(103)31(10-91)142-73,20-134-74-62(122)53(113)44(104)32(11-92)143-74)21-135-75-63(123)54(114)45(105)33(12-93)144-75)3-27(2-25)69(129)84-6-39(99)87-81(22-136-76-64(124)55(115)46(106)34(13-94)145-76,23-137-77-65(125)56(116)47(107)35(14-95)146-77)24-138-78-66(126)57(117)48(108)36(15-96)147-78/h1-3,28-36,40-66,70-78,88-96,100-126H,4-24H2,(H,82,127)(H,83,128)(H,84,129)(H,85,97)(H,86,98)(H,87,99)/t28-,29-,30-,31-,32-,33+,34+,35+,36+,40-,41-,42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63-,64-,65-,66-,70+,71+,72+,73+,74+,75-,76-,77-,78-/m0/s1 |
| InChIKey | GFOSNCXTMJBILW-ONWSLUSFSA-N |
| Mol Weight | 2149.9 g/mol |
| Molecular Formula | C81H132N6O60 |
| Exact Mass | 2148.746225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmX2FTSvaEC |
|---|---|
| Name | GFOSNCXTMJBILW-ONWSLUSFSA-N |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H132N6O60 |
| InChI | InChI=1S/C81H132N6O60/c88-7-28-40(100)49(109)58(118)70(139-28)130-16-79(17-131-71-59(119)50(110)41(101)29(8-89)140-71,18-132-72-60(120)51(111)42(102)30(9-90)141-72)85-37(97)4-82-67(127)25-1-26(68(128)83-5-38(98)86-80(19-133-73-61(121)52(112)43(103)31(10-91)142-73,20-134-74-62(122)53(113)44(104)32(11-92)143-74)21-135-75-63(123)54(114)45(105)33(12-93)144-75)3-27(2-25)69(129)84-6-39(99)87-81(22-136-76-64(124)55(115)46(106)34(13-94)145-76,23-137-77-65(125)56(116)47(107)35(14-95)146-77)24-138-78-66(126)57(117)48(108)36(15-96)147-78/h1-3,28-36,40-66,70-78,88-96,100-126H,4-24H2,(H,82,127)(H,83,128)(H,84,129)(H,85,97)(H,86,98)(H,87,99)/t28-,29-,30-,31-,32-,33+,34+,35+,36+,40-,41-,42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63-,64-,65-,66-,70+,71+,72+,73+,74+,75-,76-,77-,78-/m0/s1 |
| InChIKey | GFOSNCXTMJBILW-ONWSLUSFSA-N |
| Literature Reference Author | P.R.ASHTON,E.F.HOUNSELL,N.JAYARAMAN,T.M.NILSEN,N.SPENCER,J.F .STODDART,M.YOUNG |
| Literature Reference Citation | J.ORG.CHEM.,63,3429(1998) |
| Literature Reference DOI | 10.1021/jo9804184 |
| Molecular Weight | 2149.943 g/mol |
| Sample ID | 37254 |
| Solvent | D2O |