| SpectraBase Compound ID | 6O4jM9xRFzA |
|---|---|
| InChI | InChI=1S/C58H58N5O17PS2/c1-35(64)73-33-44-47-50(79-57(2,3)78-47)53(75-44)63-32-36(51(66)61-55(63)68)31-59-56(69)77-49-48(80-81(70,82-42-17-11-7-12-18-42)83-43-19-13-8-14-20-43)45(76-52(49)62-30-29-46(65)60-54(62)67)34-74-58(37-15-9-6-10-16-37,38-21-25-40(71-4)26-22-38)39-23-27-41(72-5)28-24-39/h6-30,32,44-45,47-50,52-53H,31,33-34H2,1-5H3,(H,59,69)(H,60,65,67)(H,61,66,68)/t44-,45-,47-,48-,49-,50-,52-,53-/m0/s1 |
| InChIKey | BELTZBBVYDHCMV-JOYGBHHISA-N |
| Mol Weight | 1192.2 g/mol |
| Molecular Formula | C58H58N5O17PS2 |
| Exact Mass | 1191.300675 g/mol |
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| SpectraBase Spectrum ID | Fg64ZKmqYC8 |
|---|---|
| Name | MAJOR-ISOMER |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H58N5O17PS2 |
| InChI | InChI=1S/C58H58N5O17PS2/c1-35(64)73-33-44-47-50(79-57(2,3)78-47)53(75-44)63-32-36(51(66)61-55(63)68)31-59-56(69)77-49-48(80-81(70,82-42-17-11-7-12-18-42)83-43-19-13-8-14-20-43)45(76-52(49)62-30-29-46(65)60-54(62)67)34-74-58(37-15-9-6-10-16-37,38-21-25-40(71-4)26-22-38)39-23-27-41(72-5)28-24-39/h6-30,32,44-45,47-50,52-53H,31,33-34H2,1-5H3,(H,59,69)(H,60,65,67)(H,61,66,68)/t44-,45-,47-,48-,49-,50-,52-,53-/m0/s1 |
| InChIKey | BELTZBBVYDHCMV-JOYGBHHISA-N |
| Literature Reference Author | K.SEIO,T.WADA,K.SAKAMOTO,S.YOKOYAMA,M.SEKINE |
| Literature Reference Citation | J.ORG.CHEM.,63,1429(1998) |
| Literature Reference DOI | 10.1021/jo971797o |
| Solvent | CDCl3 |
| Source File Reference | UWSI28213 |