| SpectraBase Compound ID | 9l3gnRklZxw |
|---|---|
| InChI | InChI=1S/C90H136N16O39S7/c1-43(107)126-38-62-69(130-47(5)111)73(134-51(9)115)77(138-55(13)119)81(142-62)103-87(149)96-34-60(35-97-88(150)104-82-78(139-56(14)120)74(135-52(10)116)70(131-48(6)112)63(143-82)39-127-44(2)108)101-67(124)27-21-18-24-30-92-85(147)94-32-59(100-66(123)26-20-17-23-29-91-42-146)33-95-86(148)93-31-25-19-22-28-68(125)102-61(36-98-89(151)105-83-79(140-57(15)121)75(136-53(11)117)71(132-49(7)113)64(144-83)40-128-45(3)109)37-99-90(152)106-84-80(141-58(16)122)76(137-54(12)118)72(133-50(8)114)65(145-84)41-129-46(4)110/h59-65,69-84H,17-41H2,1-16H3,(H,100,123)(H,101,124)(H,102,125)(H2,92,94,147)(H2,93,95,148)(H2,96,103,149)(H2,97,104,150)(H2,98,105,151)(H2,99,106,152)/t59?,60?,61?,62-,63-,64-,65+,69-,70-,71-,72+,73+,74+,75+,76-,77+,78+,79+,80-,81-,82+,83+/m1/s1 |
| InChIKey | OEILJQYLYYSKTK-GUZNOZHHSA-N |
| Mol Weight | 2290.6 g/mol |
| Molecular Formula | C90H136N16O39S7 |
| Exact Mass | 2288.719557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsNSjWONcxk |
|---|---|
| Name | OEILJQYLYYSKTK-GUZNOZHHSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H136N16O39S7 |
| InChI | InChI=1S/C90H136N16O39S7/c1-43(107)126-38-62-69(130-47(5)111)73(134-51(9)115)77(138-55(13)119)81(142-62)103-87(149)96-34-60(35-97-88(150)104-82-78(139-56(14)120)74(135-52(10)116)70(131-48(6)112)63(143-82)39-127-44(2)108)101-67(124)27-21-18-24-30-92-85(147)94-32-59(100-66(123)26-20-17-23-29-91-42-146)33-95-86(148)93-31-25-19-22-28-68(125)102-61(36-98-89(151)105-83-79(140-57(15)121)75(136-53(11)117)71(132-49(7)113)64(144-83)40-128-45(3)109)37-99-90(152)106-84-80(141-58(16)122)76(137-54(12)118)72(133-50(8)114)65(145-84)41-129-46(4)110/h59-65,69-84H,17-41H2,1-16H3,(H,100,123)(H,101,124)(H,102,125)(H2,92,94,147)(H2,93,95,148)(H2,96,103,149)(H2,97,104,150)(H2,98,105,151)(H2,99,106,152)/t59?,60?,61?,62-,63-,64-,65+,69-,70-,71-,72+,73+,74+,75+,76-,77+,78+,79+,80-,81-,82+,83+/m1/s1 |
| InChIKey | OEILJQYLYYSKTK-GUZNOZHHSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 2290.574 g/mol |
| Sample ID | 27881 |
| Solvent | CDCl3 |