| SpectraBase Compound ID | 9tfoeCQU5Zl |
|---|---|
| InChI | InChI=1S/C86H94N8O17S4/c1-103-65-23-15-60(16-24-65)85(59-11-7-5-8-12-59,61-17-25-66(104-2)26-18-61)107-43-35-69-55(47-77(108-69)91-39-31-73(95)87-81(91)99)51-112-44-36-70-56(48-78(109-70)92-40-32-74(96)88-82(92)100)52-113-45-37-71-57(49-79(110-71)93-41-33-75(97)89-83(93)101)53-114-46-38-72-58(50-80(111-72)94-42-34-76(98)90-84(94)102)54-115-86(62-13-9-6-10-14-62,63-19-27-67(105-3)28-20-63)64-21-29-68(106-4)30-22-64/h5-34,39-42,55-58,69-72,77-80H,35-38,43-54H2,1-4H3,(H,87,95,99)(H,88,96,100)(H,89,97,101)(H,90,98,102)/t55-,56+,57-,58+,69-,70+,71-,72+,77-,78+,79-,80+/m0/s1 |
| InChIKey | ADVAOWIKBFNEQG-ZBYWTHPVSA-N |
| Mol Weight | 1640.0 g/mol |
| Molecular Formula | C86H94N8O17S4 |
| Exact Mass | 1638.561978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcuLXsoks8T |
|---|---|
| Name | ADVAOWIKBFNEQG-ZBYWTHPVSA-N |
| Compound Number | 68 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H94N8O17S4 |
| InChI | InChI=1S/C86H94N8O17S4/c1-103-65-23-15-60(16-24-65)85(59-11-7-5-8-12-59,61-17-25-66(104-2)26-18-61)107-43-35-69-55(47-77(108-69)91-39-31-73(95)87-81(91)99)51-112-44-36-70-56(48-78(109-70)92-40-32-74(96)88-82(92)100)52-113-45-37-71-57(49-79(110-71)93-41-33-75(97)89-83(93)101)53-114-46-38-72-58(50-80(111-72)94-42-34-76(98)90-84(94)102)54-115-86(62-13-9-6-10-14-62,63-19-27-67(105-3)28-20-63)64-21-29-68(106-4)30-22-64/h5-34,39-42,55-58,69-72,77-80H,35-38,43-54H2,1-4H3,(H,87,95,99)(H,88,96,100)(H,89,97,101)(H,90,98,102)/t55-,56+,57-,58+,69-,70+,71-,72+,77-,78+,79-,80+/m0/s1 |
| InChIKey | ADVAOWIKBFNEQG-ZBYWTHPVSA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 1639.976 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26111 |