| SpectraBase Compound ID | AQ91Vv9Omye |
|---|---|
| InChI | InChI=1S/C80H103NO9/c1-73(2,3)59-26-47-20-49-28-60(74(4,5)6)30-51(68(49)86)22-53-32-62(76(10,11)12)34-55(70(53)88)24-57-36-64(78(16,17)18)37-58(72(57)90-43-65(82)81-80-40-45-19-46(41-80)39-79(38-45,44-80)42-66(83)84)25-56-35-63(77(13,14)15)33-54(71(56)89)23-52-31-61(75(7,8)9)29-50(69(52)87)21-48(27-59)67(47)85/h26-37,45-46,85-89H,19-25,38-44H2,1-18H3,(H,81,82)(H,83,84)/t45-,46+,79-,80- |
| InChIKey | XCQZMQXHEUAOHE-PSSCCEDDSA-N |
| Mol Weight | 1222.7 g/mol |
| Molecular Formula | C80H103NO9 |
| Exact Mass | 1221.763284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hj3FvEqUgji |
|---|---|
| Name | XCQZMQXHEUAOHE-PSSCCEDDSA-N |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H103NO9 |
| InChI | InChI=1S/C80H103NO9/c1-73(2,3)59-26-47-20-49-28-60(74(4,5)6)30-51(68(49)86)22-53-32-62(76(10,11)12)34-55(70(53)88)24-57-36-64(78(16,17)18)37-58(72(57)90-43-65(82)81-80-40-45-19-46(41-80)39-79(38-45,44-80)42-66(83)84)25-56-35-63(77(13,14)15)33-54(71(56)89)23-52-31-61(75(7,8)9)29-50(69(52)87)21-48(27-59)67(47)85/h26-37,45-46,85-89H,19-25,38-44H2,1-18H3,(H,81,82)(H,83,84)/t45-,46+,79-,80- |
| InChIKey | XCQZMQXHEUAOHE-PSSCCEDDSA-N |
| Literature Reference Author | I.M.VATSOURO,E.A.SHOKOVA,A.K.SHESTAKOVA,V.A.CHERTKOV,V.V.KOV ALEV |
| Literature Reference Citation | EUR.J.ORG.CHEM.,522(2006) |
| Molecular Weight | 1222.699 g/mol |
| Sample ID | 43612 |
| Solvent | CDCl3 |