| SpectraBase Compound ID | 5KwSbwJ8aWl |
|---|---|
| InChI | InChI=1S/C36H52O9/c1-14-28(39)19(5)34-23(9)31(41)21(7)32(45-34)17(3)16-18(4)33(42-26(12)37)24(10)36(43-27(13)38)25(11)35-22(8)30(40)20(6)29(15-2)44-35/h16-17,19,24-25,28,33,36,39H,14-15H2,1-13H3/b18-16+/t17-,19-,24+,25-,28-,33-,36-/m1/s1 |
| InChIKey | AVVQUXMPMAVZQC-IZATXRFVSA-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 | AvoubxHXqCR |
|---|---|
| Name | ONCHITRIOL-#1A |
| CAS Registry Number | 142132-12-5 |
| 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(39)19(5)34-23(9)31(41)21(7)32(45-34)17(3)16-18(4)33(42-26(12)37)24(10)36(43-27(13)38)25(11)35-22(8)30(40)20(6)29(15-2)44-35/h16-17,19,24-25,28,33,36,39H,14-15H2,1-13H3/b18-16+/t17-,19-,24+,25-,28-,33-,36-/m1/s1 |
| InChIKey | AVVQUXMPMAVZQC-IZATXRFVSA-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 | C6D6 |
| Source File Reference | UWCS2471 |