| SpectraBase Compound ID | HfxnT55MR0f |
|---|---|
| InChI | InChI=1S/C45H33NO27S/c1-66-42(63)13-8-74-36-23-24-22-12(6-18(51)29(55)33(22)73-45(24,65)37(58)25(36)46-13)41(62)71-35-34-32(69-43(23)64)19(68-44(35)72-38(59)9-2-14(47)26(52)15(48)3-9)7-67-39(60)10-4-16(49)27(53)30(56)20(10)21-11(40(61)70-34)5-17(50)28(54)31(21)57/h2-6,13,19,23-24,32,34-35,44,46-57,65H,7-8H2,1H3/t13-,19+,23+,24+,32+,34-,35+,44-,45+/m0/s1 |
| InChIKey | OHGBLCBQBCTQNB-GTKBPFEQSA-N |
| Mol Weight | 1051.8 g/mol |
| Molecular Formula | C45H33NO27S |
| Exact Mass | 1051.096066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XojYKlFIoY |
|---|---|
| Name | OHGBLCBQBCTQNB-GTKBPFEQSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H33NO27S |
| InChI | InChI=1S/C45H33NO27S/c1-66-42(63)13-8-74-36-23-24-22-12(6-18(51)29(55)33(22)73-45(24,65)37(58)25(36)46-13)41(62)71-35-34-32(69-43(23)64)19(68-44(35)72-38(59)9-2-14(47)26(52)15(48)3-9)7-67-39(60)10-4-16(49)27(53)30(56)20(10)21-11(40(61)70-34)5-17(50)28(54)31(21)57/h2-6,13,19,23-24,32,34-35,44,46-57,65H,7-8H2,1H3/t13-,19+,23+,24+,32+,34-,35+,44-,45+/m0/s1 |
| InChIKey | OHGBLCBQBCTQNB-GTKBPFEQSA-N |
| Literature Reference Author | T.TANAKA,H.FUJISAKI,G.I.NONAKA,I.NISHIOKA |
| Literature Reference Citation | HETEROCYCLES,33,375(1992) |
| Literature Reference DOI | 10.3987/COM-91-S50 |
| Molecular Weight | 1051.808 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ3414 |