| SpectraBase Compound ID | 9anK2jKaSnI |
|---|---|
| InChI | InChI=1S/C87H102O14P2S12/c1-9-17-44-92-54-58-50-76(70-30-28-66(104-70)68-40-42-80(110-68)102(90,98-13-5)99-14-6)112-84(58)78-52-60(56-94-46-19-11-3)82(114-78)72-36-32-62(106-72)64-34-38-74(108-64)86(88)96-48-26-24-22-21-23-25-27-49-97-87(89)75-39-35-65(109-75)63-33-37-73(107-63)83-61(57-95-47-20-12-4)53-79(115-83)85-59(55-93-45-18-10-2)51-77(113-85)71-31-29-67(105-71)69-41-43-81(111-69)103(91,100-15-7)101-16-8/h28-43,50-53H,9-27,44-49,54-57H2,1-8H3 |
| InChIKey | QKIBNBRLIUDHGA-UHFFFAOYSA-N |
| Mol Weight | 1818.4 g/mol |
| Molecular Formula | C87H102O14P2S12 |
| Exact Mass | 1816.339336 g/mol |
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| SpectraBase Spectrum ID | 6bTTb1MPNYf |
|---|---|
| Name | QKIBNBRLIUDHGA-UHFFFAOYSA-N |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C87H102O14P2S12 |
| InChI | InChI=1S/C87H102O14P2S12/c1-9-17-44-92-54-58-50-76(70-30-28-66(104-70)68-40-42-80(110-68)102(90,98-13-5)99-14-6)112-84(58)78-52-60(56-94-46-19-11-3)82(114-78)72-36-32-62(106-72)64-34-38-74(108-64)86(88)96-48-26-24-22-21-23-25-27-49-97-87(89)75-39-35-65(109-75)63-33-37-73(107-63)83-61(57-95-47-20-12-4)53-79(115-83)85-59(55-93-45-18-10-2)51-77(113-85)71-31-29-67(105-71)69-41-43-81(111-69)103(91,100-15-7)101-16-8/h28-43,50-53H,9-27,44-49,54-57H2,1-8H3 |
| InChIKey | QKIBNBRLIUDHGA-UHFFFAOYSA-N |
| Literature Reference Author | C.EDDER,J.M.J.FRECHET |
| Literature Reference Citation | ORG.LETTERS,5,1879(2003) |
| Literature Reference DOI | 10.1021/ol034398q |
| Solvent | CDCl3 |
| Source File Reference | UWSI33851 |