| SpectraBase Compound ID | 5SzQwKK2jDR |
|---|---|
| InChI | InChI=1S/C36H52O9/c1-14-28-19(5)31(40)23(9)36(44-28)25(11)35(43-27(13)38)21(7)30(39)17(3)16-18(4)33-22(8)32(41)24(10)34(45-33)20(6)29(15-2)42-26(12)37/h16,18,20-21,25,29-30,35,39H,14-15H2,1-13H3/b17-16+/t18-,20+,21+,25+,29-,30-,35+/m0/s1 |
| InChIKey | UUAVOMRKSKLDKC-QBWXNTOJSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C36H52O9 |
| Exact Mass | 628.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rAvA141vkB |
|---|---|
| Name | ONCHITRIOL-#2D |
| CAS Registry Number | 85589-35-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O9 |
| InChI | InChI=1S/C36H52O9/c1-14-28-19(5)31(40)23(9)36(44-28)25(11)35(43-27(13)38)21(7)30(39)17(3)16-18(4)33-22(8)32(41)24(10)34(45-33)20(6)29(15-2)42-26(12)37/h16,18,20-21,25,29-30,35,39H,14-15H2,1-13H3/b17-16+/t18-,20+,21+,25+,29-,30-,35+/m0/s1 |
| InChIKey | UUAVOMRKSKLDKC-QBWXNTOJSA-N |
| Literature Reference Author | J.RODRIGUEZ,R.RIGUERA,C.DEBITUS |
| Literature Reference Citation | J.ORG.CHEM.,57,4624(1992) |
| Literature Reference DOI | 10.1021/jo00043a018 |
| Molecular Weight | 628.803 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS2476 |