| SpectraBase Compound ID | 3lasykyhNeB |
|---|---|
| InChI | InChI=1S/C65H119N17O28S7/c1-105-58-53(104)48(99)39(90)31(110-58)23-75-61(113)68-16-10-4-7-11-36(87)76-28(17-69-59(111)66-14-8-2-5-12-37(88)77-29(19-71-62(114)79-54-49(100)44(95)40(91)32(24-83)106-54)20-72-63(115)80-55-50(101)45(96)41(92)33(25-84)107-55)18-70-60(112)67-15-9-3-6-13-38(89)78-30(21-73-64(116)81-56-51(102)46(97)42(93)34(26-85)108-56)22-74-65(117)82-57-52(103)47(98)43(94)35(27-86)109-57/h28-35,39-58,83-86,90-104H,2-27H2,1H3,(H,76,87)(H,77,88)(H,78,89)(H2,66,69,111)(H2,67,70,112)(H2,68,75,113)(H2,71,79,114)(H2,72,80,115)(H2,73,81,116)(H2,74,82,117) |
| InChIKey | NJBZDPGWEXUSAK-UHFFFAOYSA-N |
| Mol Weight | 1811.2 g/mol |
| Molecular Formula | C65H119N17O28S7 |
| Exact Mass | 1809.645544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Heb879zMEd |
|---|---|
| Name | NJBZDPGWEXUSAK-UHFFFAOYSA-N |
| Compound Number | 53 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H119N17O28S7 |
| InChI | InChI=1S/C65H119N17O28S7/c1-105-58-53(104)48(99)39(90)31(110-58)23-75-61(113)68-16-10-4-7-11-36(87)76-28(17-69-59(111)66-14-8-2-5-12-37(88)77-29(19-71-62(114)79-54-49(100)44(95)40(91)32(24-83)106-54)20-72-63(115)80-55-50(101)45(96)41(92)33(25-84)107-55)18-70-60(112)67-15-9-3-6-13-38(89)78-30(21-73-64(116)81-56-51(102)46(97)42(93)34(26-85)108-56)22-74-65(117)82-57-52(103)47(98)43(94)35(27-86)109-57/h28-35,39-58,83-86,90-104H,2-27H2,1H3,(H,76,87)(H,77,88)(H,78,89)(H2,66,69,111)(H2,67,70,112)(H2,68,75,113)(H2,71,79,114)(H2,72,80,115)(H2,73,81,116)(H2,74,82,117) |
| InChIKey | NJBZDPGWEXUSAK-UHFFFAOYSA-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 | 1811.177 g/mol |
| Sample ID | 27906 |
| Solvent | CD3OD |