| SpectraBase Compound ID | DbnbXcxozkz |
|---|---|
| InChI | InChI=1S/C53H36N4O22/c58-27-9-16(10-28(59)38(27)62)48(69)79-53-47-46-45(76-50(71)17-11-25-37(57-24-8-4-1-5-21(24)54-25)42(66)33(17)35-20(52(73)78-47)14-30(61)40(64)44(35)68)31(75-53)15-74-49(70)19-13-29(60)39(63)43(67)34(19)32-18(51(72)77-46)12-26-36(41(32)65)56-23-7-3-2-6-22(23)55-26/h1-14,31,45-47,53-68H,15H2/t31-,45-,46+,47-,53+/m1/s1 |
| InChIKey | PGBFIJBOKSTLDJ-DUAQFDIASA-N |
| Mol Weight | 1080.9 g/mol |
| Molecular Formula | C53H36N4O22 |
| Exact Mass | 1080.182119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZMxpv0otGr |
|---|---|
| Name | PGBFIJBOKSTLDJ-DUAQFDIASA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H36N4O22 |
| InChI | InChI=1S/C53H36N4O22/c58-27-9-16(10-28(59)38(27)62)48(69)79-53-47-46-45(76-50(71)17-11-25-37(57-24-8-4-1-5-21(24)54-25)42(66)33(17)35-20(52(73)78-47)14-30(61)40(64)44(35)68)31(75-53)15-74-49(70)19-13-29(60)39(63)43(67)34(19)32-18(51(72)77-46)12-26-36(41(32)65)56-23-7-3-2-6-22(23)55-26/h1-14,31,45-47,53-68H,15H2/t31-,45-,46+,47-,53+/m1/s1 |
| InChIKey | PGBFIJBOKSTLDJ-DUAQFDIASA-N |
| Literature Reference Author | L.Y.FOO |
| Literature Reference Citation | PHYTOCHEM.,33,487(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85545-3 |
| Molecular Weight | 1080.882 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVN6459 |