| SpectraBase Compound ID | JVvu0Zent1X |
|---|---|
| InChI | InChI=1S/C58H69NO19/c1-8-29-67-45-46(69-32-39-25-17-11-18-26-39)51(71-36(3)61)56(75-49(45)53(62)64-6)73-43-41(34-66-30-37-21-13-9-14-22-37)72-55(42(59-35(2)60)44(43)68-31-38-23-15-10-16-24-38)74-48-47(70-33-40-27-19-12-20-28-40)52-57(78-58(4,5)77-52)76-50(48)54(63)65-7/h8-28,41-52,55-57H,1,29-34H2,2-7H3,(H,59,60)/t41-,42-,43-,44-,45-,46-,47+,48+,49+,50-,51+,52-,55-,56+,57-/m0/s1 |
| InChIKey | UUOFNXSSGMYYIJ-JHGDFLLHSA-N |
| Mol Weight | 1084.2 g/mol |
| Molecular Formula | C58H69NO19 |
| Exact Mass | 1083.446379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LopC1Ts5tmg |
|---|---|
| Name | #17;METHYL-[METHYL-(2-O-ACETYL-4-O-ALLYL-3-O-BENZYL-ALPHA-L-IDOPYRANOSID)-URONATE-(1->4)-2-ACETAMIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE-(1->4)-3-O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H69NO19 |
| InChI | InChI=1S/C58H69NO19/c1-8-29-67-45-46(69-32-39-25-17-11-18-26-39)51(71-36(3)61)56(75-49(45)53(62)64-6)73-43-41(34-66-30-37-21-13-9-14-22-37)72-55(42(59-35(2)60)44(43)68-31-38-23-15-10-16-24-38)74-48-47(70-33-40-27-19-12-20-28-40)52-57(78-58(4,5)77-52)76-50(48)54(63)65-7/h8-28,41-52,55-57H,1,29-34H2,2-7H3,(H,59,60)/t41-,42-,43-,44-,45-,46-,47+,48+,49+,50-,51+,52-,55-,56+,57-/m0/s1 |
| InChIKey | UUOFNXSSGMYYIJ-JHGDFLLHSA-N |
| Literature Reference Author | G.J.S.LOHMAN,P.H.SEEBERGER |
| Literature Reference Citation | J.ORG.CHEM.,69,4081(2004) |
| Literature Reference DOI | 10.1021/jo035732z |
| Molecular Weight | 1084.181 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN21642 |