| SpectraBase Compound ID | FxmzZohokoy |
|---|---|
| InChI | InChI=1S/C76H112BrN19O20S/c1-13-76(9,10)60(93-68(107)59(75(6,7)8)92-67(106)54-23-17-31-95(54)70(109)49(87-61(100)40(4)84-38-97)33-42-24-26-44(77)27-25-42)69(108)86-48(34-43-36-83-46-20-15-14-19-45(43)46)63(102)85-47(21-16-30-82-74(80)81)62(101)89-51(37-117(113,114)115-12)64(103)91-58-41(5)116-73(112)50(35-56(79)99)88-66(105)53-22-18-32-96(53)72(111)57(39(2)3)90-65(104)52(28-29-55(78)98)94(11)71(58)110/h14-15,19-20,24-27,36,38-41,47-54,57-60,83H,13,16-18,21-23,28-35,37H2,1-12H3,(H2,78,98)(H2,79,99)(H,84,97)(H,85,102)(H,86,108)(H,87,100)(H,88,105)(H,89,101)(H,90,104)(H,91,103)(H,92,106)(H,93,107)(H4,80,81,82)/t40-,41-,47-,48-,49+,50-,51+,52?,53+,54?,57-,58+,59+,60?/m0/s1 |
| InChIKey | YYPKTNANCHDFFM-PWJQCLONSA-N |
| Mol Weight | 1723.8 g/mol |
| Molecular Formula | C76H112BrN19O20S |
| Exact Mass | 1721.723511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Koe7YbI11hd |
|---|---|
| Name | POLYDISCAMIDE-A,METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H112BrN19O20S |
| InChI | InChI=1S/C76H112BrN19O20S/c1-13-76(9,10)60(93-68(107)59(75(6,7)8)92-67(106)54-23-17-31-95(54)70(109)49(87-61(100)40(4)84-38-97)33-42-24-26-44(77)27-25-42)69(108)86-48(34-43-36-83-46-20-15-14-19-45(43)46)63(102)85-47(21-16-30-82-74(80)81)62(101)89-51(37-117(113,114)115-12)64(103)91-58-41(5)116-73(112)50(35-56(79)99)88-66(105)53-22-18-32-96(53)72(111)57(39(2)3)90-65(104)52(28-29-55(78)98)94(11)71(58)110/h14-15,19-20,24-27,36,38-41,47-54,57-60,83H,13,16-18,21-23,28-35,37H2,1-12H3,(H2,78,98)(H2,79,99)(H,84,97)(H,85,102)(H,86,108)(H,87,100)(H,88,105)(H,89,101)(H,90,104)(H,91,103)(H,92,106)(H,93,107)(H4,80,81,82)/t40-,41-,47-,48-,49+,50-,51+,52?,53+,54?,57-,58+,59+,60?/m0/s1 |
| InChIKey | YYPKTNANCHDFFM-PWJQCLONSA-N |
| Literature Reference Author | N.K.GULAVITA,S.P.GUNASEKERA,S.A.POMPONI,E.V.ROBINSON |
| Literature Reference Citation | J.ORG.CHEM.,57,1767(1992) |
| Literature Reference DOI | 10.1021/jo00032a031 |
| Molecular Weight | 1723.805 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS1912 |