| SpectraBase Compound ID | 7SgGzJVJB6s |
|---|---|
| InChI | InChI=1S/C59H61IN2O12S2/c60-52-56(70-39-46-28-14-4-15-29-46)54(68-37-44-24-10-2-11-25-44)51(73-58(52)62-76(65,66)49-34-20-7-21-35-49)42-72-59-53(61-75(63,64)48-32-18-6-19-33-48)57(71-40-47-30-16-5-17-31-47)55(69-38-45-26-12-3-13-27-45)50(74-59)41-67-36-43-22-8-1-9-23-43/h1-35,50-59,61-62H,36-42H2/t50-,51+,52-,53-,54+,55-,56+,57-,58-,59-/m0/s1 |
| InChIKey | MILWDUYLNVZNOK-KQANEWSPSA-N |
| Mol Weight | 1181.2 g/mol |
| Molecular Formula | C59H61IN2O12S2 |
| Exact Mass | 1180.271063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX12srJPPAr |
|---|---|
| Name | MILWDUYLNVZNOK-KQANEWSPSA-N |
| Compound Number | 3H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H61IN2O12S2 |
| InChI | InChI=1S/C59H61IN2O12S2/c60-52-56(70-39-46-28-14-4-15-29-46)54(68-37-44-24-10-2-11-25-44)51(73-58(52)62-76(65,66)49-34-20-7-21-35-49)42-72-59-53(61-75(63,64)48-32-18-6-19-33-48)57(71-40-47-30-16-5-17-31-47)55(69-38-45-26-12-3-13-27-45)50(74-59)41-67-36-43-22-8-1-9-23-43/h1-35,50-59,61-62H,36-42H2/t50-,51+,52-,53-,54+,55-,56+,57-,58-,59-/m0/s1 |
| InChIKey | MILWDUYLNVZNOK-KQANEWSPSA-N |
| Literature Reference Author | J.M.OWENS,B.K.S.YEUNG,D.C.HILL,P.A.PETILLO |
| Literature Reference Citation | J.ORG.CHEM.,66,1484(2001) |
| Literature Reference DOI | 10.1021/jo001161o |
| Molecular Weight | 1181.164 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS25956 |