| SpectraBase Compound ID | C6vgZeZl8lA |
|---|---|
| InChI | InChI=1S/C98H89N3O30/c1-51(102)117-48-75-84(123-54(4)105)87(81(98(131-75)128-67-42-40-66(116-9)41-43-67)99-90(110)68-26-16-17-27-69(68)91(99)111)120-47-65-44-74(61-22-12-10-13-23-61)79(63-36-32-59(33-37-63)45-121-96-82(100-92(112)70-28-18-19-29-71(70)93(100)113)88(126-57(7)108)85(124-55(5)106)76(129-96)49-118-52(2)103)80(78(65)62-24-14-11-15-25-62)64-38-34-60(35-39-64)46-122-97-83(101-94(114)72-30-20-21-31-73(72)95(101)115)89(127-58(8)109)86(125-56(6)107)77(130-97)50-119-53(3)104/h10-44,75-77,81-89,96-98H,45-50H2,1-9H3/t75-,76-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,96?,97?,98-/m0/s1 |
| InChIKey | GXNPJKZVIRTAOL-GIXZXHQKSA-N |
| Mol Weight | 1788.8 g/mol |
| Molecular Formula | C98H89N3O30 |
| Exact Mass | 1787.553088 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjtEMWWK1L6 |
|---|---|
| Name | GXNPJKZVIRTAOL-GIXZXHQKSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C98H89N3O30 |
| InChI | InChI=1S/C98H89N3O30/c1-51(102)117-48-75-84(123-54(4)105)87(81(98(131-75)128-67-42-40-66(116-9)41-43-67)99-90(110)68-26-16-17-27-69(68)91(99)111)120-47-65-44-74(61-22-12-10-13-23-61)79(63-36-32-59(33-37-63)45-121-96-82(100-92(112)70-28-18-19-29-71(70)93(100)113)88(126-57(7)108)85(124-55(5)106)76(129-96)49-118-52(2)103)80(78(65)62-24-14-11-15-25-62)64-38-34-60(35-39-64)46-122-97-83(101-94(114)72-30-20-21-31-73(72)95(101)115)89(127-58(8)109)86(125-56(6)107)77(130-97)50-119-53(3)104/h10-44,75-77,81-89,96-98H,45-50H2,1-9H3/t75-,76-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,96?,97?,98-/m0/s1 |
| InChIKey | GXNPJKZVIRTAOL-GIXZXHQKSA-N |
| Literature Reference Author | J.SAKAMOTO,K.MULLEN |
| Literature Reference Citation | ORG.LETTERS,6,4277(2004) |
| Literature Reference DOI | 10.1021/ol048282l |
| Molecular Weight | 1788.787 g/mol |
| Sample ID | 45755 |
| Solvent | CDCl3 |