| SpectraBase Compound ID | ASkGEMQeed8 |
|---|---|
| InChI | InChI=1S/C56H70O8/c1-29-23-39-47(4,28-36(29)58)15-19-53(10)41-27-35(57)43-31(3)45-37(25-34(43)49(41,6)17-20-52(39,53)9)63-55(12)32-13-14-38-48(5,33(32)26-42(59)56(55,62)64-45)16-21-54(11)40-24-30(2)44(60)46(61)50(40,7)18-22-51(38,54)8/h13-14,25-27,29-30,39-40,46,61-62H,15-24,28H2,1-12H3/t29-,30-,39-,40-,46-,47+,48+,49+,50-,51-,52+,53-,54+,55-,56+/m1/s1 |
| InChIKey | YZWROAZNWILZGF-UQRDLBQTSA-N |
| Mol Weight | 871.2 g/mol |
| Molecular Formula | C56H70O8 |
| Exact Mass | 870.507069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNQl8TruVmc |
|---|---|
| Name | ISOXUXUARINE-C-BETA |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H70O8 |
| InChI | InChI=1S/C56H70O8/c1-29-23-39-47(4,28-36(29)58)15-19-53(10)41-27-35(57)43-31(3)45-37(25-34(43)49(41,6)17-20-52(39,53)9)63-55(12)32-13-14-38-48(5,33(32)26-42(59)56(55,62)64-45)16-21-54(11)40-24-30(2)44(60)46(61)50(40,7)18-22-51(38,54)8/h13-14,25-27,29-30,39-40,46,61-62H,15-24,28H2,1-12H3/t29-,30-,39-,40-,46-,47+,48+,49+,50-,51-,52+,53-,54+,55-,56+/m1/s1 |
| InChIKey | YZWROAZNWILZGF-UQRDLBQTSA-N |
| Literature Reference Author | O.SHIROTA,S.SEKITA,M.SATAKE,H.MORITA,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | CHEM.BIODIV.,1,1296(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490092 |
| Molecular Weight | 871.167 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS21750 |