| SpectraBase Compound ID | DW9MaQAFEbY |
|---|---|
| InChI | InChI=1S/C92H154N16O22/c1-26-56(18)78(108-83(118)69(36-33-43-95-60(22)111)98-84(119)70(44-49(4)5)100-80(115)66(28-3)96-92(127)79(57(19)27-2)130-63(25)114)91(126)107-77(55(16)17)90(125)106-76(54(14)15)88(123)99-68(35-30-32-42-94-59(21)110)82(117)105-75(53(12)13)89(124)103-72(46-51(8)9)85(120)97-67(34-29-31-41-93-58(20)109)81(116)102-73(47-64-37-39-65(40-38-64)129-62(24)113)87(122)101-71(45-50(6)7)86(121)104-74(52(10)11)48-128-61(23)112/h28,37-40,49-57,67-79H,26-27,29-36,41-48H2,1-25H3,(H,93,109)(H,94,110)(H,95,111)(H,96,127)(H,97,120)(H,98,119)(H,99,123)(H,100,115)(H,101,122)(H,102,116)(H,103,124)(H,104,121)(H,105,117)(H,106,125)(H,107,126)(H,108,118)/b66-28-/t56-,57+,67?,68?,69-,70+,71?,72?,73+,74+,75+,76+,77+,78+,79+/m0/s1 |
| InChIKey | NTQNHDZTWJPLMQ-HHRSKJTBSA-N |
| Mol Weight | 1836.3 g/mol |
| Molecular Formula | C92H154N16O22 |
| Exact Mass | 1835.142361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TDszpvqNtq |
|---|---|
| Name | BOGOROL-A-HEXAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C92H154N16O22 |
| InChI | InChI=1S/C92H154N16O22/c1-26-56(18)78(108-83(118)69(36-33-43-95-60(22)111)98-84(119)70(44-49(4)5)100-80(115)66(28-3)96-92(127)79(57(19)27-2)130-63(25)114)91(126)107-77(55(16)17)90(125)106-76(54(14)15)88(123)99-68(35-30-32-42-94-59(21)110)82(117)105-75(53(12)13)89(124)103-72(46-51(8)9)85(120)97-67(34-29-31-41-93-58(20)109)81(116)102-73(47-64-37-39-65(40-38-64)129-62(24)113)87(122)101-71(45-50(6)7)86(121)104-74(52(10)11)48-128-61(23)112/h28,37-40,49-57,67-79H,26-27,29-36,41-48H2,1-25H3,(H,93,109)(H,94,110)(H,95,111)(H,96,127)(H,97,120)(H,98,119)(H,99,123)(H,100,115)(H,101,122)(H,102,116)(H,103,124)(H,104,121)(H,105,117)(H,106,125)(H,107,126)(H,108,118)/b66-28-/t56-,57+,67?,68?,69-,70+,71?,72?,73+,74+,75+,76+,77+,78+,79+/m0/s1 |
| InChIKey | NTQNHDZTWJPLMQ-HHRSKJTBSA-N |
| Literature Reference Author | T.BARSBY,M.T.KELLY,S.M.GAGNE,R.J.ANDERSEN |
| Literature Reference Citation | ORG.LETTERS,3,437(2001) |
| Literature Reference DOI | 10.1021/ol006942q |
| Molecular Weight | 1836.329 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU35265 |