| SpectraBase Compound ID | He1ymK5OLG0 |
|---|---|
| InChI | InChI=1S/C37H54O9/c1-14-28(39)20(6)35-24(10)32(42)22(8)33(46-35)18(4)17-19(5)34(45-30(40)16-3)25(11)37(43-27(13)38)26(12)36-23(9)31(41)21(7)29(15-2)44-36/h17-18,20,25-26,28,34,37,39H,14-16H2,1-13H3/b19-17+/t18-,20-,25+,26-,28-,34-,37-/m1/s1 |
| InChIKey | WFDZQYNYFUULTO-RRRFQEFZSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C37H54O9 |
| Exact Mass | 642.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwJBX9gn8nn |
|---|---|
| Name | ONCHITRIOL-#1B |
| CAS Registry Number | 142159-63-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O9 |
| InChI | InChI=1S/C37H54O9/c1-14-28(39)20(6)35-24(10)32(42)22(8)33(46-35)18(4)17-19(5)34(45-30(40)16-3)25(11)37(43-27(13)38)26(12)36-23(9)31(41)21(7)29(15-2)44-36/h17-18,20,25-26,28,34,37,39H,14-16H2,1-13H3/b19-17+/t18-,20-,25+,26-,28-,34-,37-/m1/s1 |
| InChIKey | WFDZQYNYFUULTO-RRRFQEFZSA-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 | 642.830 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS2473 |