| SpectraBase Compound ID | 5XQtE4JqX6w |
|---|---|
| InChI | InChI=1S/C62H66O11/c1-63-61-59(69-42-51-33-19-7-20-34-51)57(67-40-49-29-15-5-16-30-49)56(66-39-48-27-13-4-14-28-48)54(72-61)45-71-62-60(70-43-52-35-21-8-22-36-52)58(68-41-50-31-17-6-18-32-50)55(65-38-47-25-11-3-12-26-47)53(73-62)44-64-37-46-23-9-2-10-24-46/h2-36,53-62H,37-45H2,1H3/t53-,54+,55+,56+,57-,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | FLOIPOSVHDNCRB-XPNMIJKKSA-N |
| Mol Weight | 987.2 g/mol |
| Molecular Formula | C62H66O11 |
| Exact Mass | 986.460513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97RBzGG76ax |
|---|---|
| Name | ISOMER-BETA |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H66O11 |
| InChI | InChI=1S/C62H66O11/c1-63-61-59(69-42-51-33-19-7-20-34-51)57(67-40-49-29-15-5-16-30-49)56(66-39-48-27-13-4-14-28-48)54(72-61)45-71-62-60(70-43-52-35-21-8-22-36-52)58(68-41-50-31-17-6-18-32-50)55(65-38-47-25-11-3-12-26-47)53(73-62)44-64-37-46-23-9-2-10-24-46/h2-36,53-62H,37-45H2,1H3/t53-,54+,55+,56+,57-,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | FLOIPOSVHDNCRB-XPNMIJKKSA-N |
| Literature Reference Author | M.J.CHEN,K.RAVINDRAN,D.W.LANDRY,K.ZHAO |
| Literature Reference Citation | HETEROCYCLES,45,1247(1997) |
| Literature Reference DOI | 10.3987/COM-96-7466 |
| Molecular Weight | 987.199 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6632 |