| SpectraBase Compound ID | 80wd2092PN4 |
|---|---|
| InChI | InChI=1S/C46H56INO15/c1-25-36(53-22-30-16-10-7-11-17-30)41(54-23-31-18-12-8-13-19-31)42(46(52-6)57-25)63-45-35(48-27(3)49)40(38-33(60-45)24-55-43(61-38)32-20-14-9-15-21-32)62-44-34(47)39(59-29(5)51)37(26(2)56-44)58-28(4)50/h7-21,25-26,33-46H,22-24H2,1-6H3,(H,48,49)/t25-,26-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42+,43-,44-,45-,46+/m0/s1 |
| InChIKey | VUWWAMFSRZJTLW-CFIXQSSVSA-N |
| Mol Weight | 989.9 g/mol |
| Molecular Formula | C46H56INO15 |
| Exact Mass | 989.269465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwnSG0lFZQn |
|---|---|
| Name | VUWWAMFSRZJTLW-CFIXQSSVSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H56INO15 |
| InChI | InChI=1S/C46H56INO15/c1-25-36(53-22-30-16-10-7-11-17-30)41(54-23-31-18-12-8-13-19-31)42(46(52-6)57-25)63-45-35(48-27(3)49)40(38-33(60-45)24-55-43(61-38)32-20-14-9-15-21-32)62-44-34(47)39(59-29(5)51)37(26(2)56-44)58-28(4)50/h7-21,25-26,33-46H,22-24H2,1-6H3,(H,48,49)/t25-,26-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42+,43-,44-,45-,46+/m0/s1 |
| InChIKey | VUWWAMFSRZJTLW-CFIXQSSVSA-N |
| Literature Reference Author | H.R.HANNA,D.R.BUNDLE |
| Literature Reference Citation | CAN.J.CHEM.,71,125(1993) |
| Literature Reference DOI | 10.1139/v93-018 |
| Molecular Weight | 989.853 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP3117 |