| SpectraBase Compound ID | A5VJCqy071b |
|---|---|
| InChI | InChI=1S/C28H37ClO12/c1-12-8-9-19(38-15(4)31)26(7)21(27(11-36-27)10-18(37-14(3)30)22(26)39-16(5)32)24(40-17(6)33)28(35)13(2)25(34)41-23(28)20(12)29/h13,18-24,35H,1,8-11H2,2-7H3/t13-,18-,19+,20-,21+,22-,23-,24+,26+,27-,28-/m0/s1 |
| InChIKey | QDDOPJGKEITRDJ-TVJKJFQTSA-N |
| Mol Weight | 601.0 g/mol |
| Molecular Formula | C28H37ClO12 |
| Exact Mass | 600.197354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEPa90JyTWH |
|---|---|
| Name | NUI-INOALIDE-A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37ClO12 |
| InChI | InChI=1S/C28H37ClO12/c1-12-8-9-19(38-15(4)31)26(7)21(27(11-36-27)10-18(37-14(3)30)22(26)39-16(5)32)24(40-17(6)33)28(35)13(2)25(34)41-23(28)20(12)29/h13,18-24,35H,1,8-11H2,2-7H3/t13-,18-,19+,20-,21+,22-,23-,24+,26+,27-,28-/m0/s1 |
| InChIKey | QDDOPJGKEITRDJ-TVJKJFQTSA-N |
| Literature Reference Author | M.T.HAMANN,K.N.HARRISON,A.R.CARROLL,P.J.SCHEUER |
| Literature Reference Citation | HETEROCYCLES,42,325(1996) |
| Literature Reference DOI | 10.3987/COM-95-S39 |
| Molecular Weight | 601.048 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6046 |