| SpectraBase Compound ID | C1VNuZgYbbA |
|---|---|
| InChI | InChI=1S/C64H112O24/c1-9-12-15-16-17-18-21-24-30-35-44(67)84-59-58(88-60-50(73)47(70)45(68)36(4)76-60)55(85-61-51(74)49(72)53(38(6)78-61)82-42(65)33-27-14-11-3)40(8)80-64(59)86-54-39(7)79-62-52(75)56(54)83-43(66)34-29-25-22-19-20-23-28-32-41(31-26-13-10-2)81-63-57(87-62)48(71)46(69)37(5)77-63/h36-41,45-64,68-75H,9-35H2,1-8H3/t36-,37+,38-,39-,40-,41-,45-,46-,47+,48-,49-,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-/m0/s1 |
| InChIKey | FLSDUCMOFKMYAW-OVRXSPRISA-N |
| Mol Weight | 1265.6 g/mol |
| Molecular Formula | C64H112O24 |
| Exact Mass | 1264.754354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25cpoepWmcf |
|---|---|
| Name | PESCAPREIN_IV |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H112O24 |
| InChI | InChI=1S/C64H112O24/c1-9-12-15-16-17-18-21-24-30-35-44(67)84-59-58(88-60-50(73)47(70)45(68)36(4)76-60)55(85-61-51(74)49(72)53(38(6)78-61)82-42(65)33-27-14-11-3)40(8)80-64(59)86-54-39(7)79-62-52(75)56(54)83-43(66)34-29-25-22-19-20-23-28-32-41(31-26-13-10-2)81-63-57(87-62)48(71)46(69)37(5)77-63/h36-41,45-64,68-75H,9-35H2,1-8H3/t36-,37+,38-,39-,40-,41-,45-,46-,47+,48-,49-,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-/m0/s1 |
| InChIKey | FLSDUCMOFKMYAW-OVRXSPRISA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,E.ESCALANTE-SANCHEZ,C.ESCOBEDO-MARTINEZ |
| Literature Reference Citation | J.NAT.PROD.,68,226(2005) |
| Literature Reference DOI | 10.1021/np0496340 |
| Molecular Weight | 1265.579 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9034 |