| SpectraBase Compound ID | 12rQ2xUJ3Vb |
|---|---|
| InChI | InChI=1S/2C22H40O5/c2*1-8-16(17(23)9-2)19-14(5)12-20(7,26-19)22(25)15(6)13-21(11-4,27-22)18(24)10-3/h2*14-16,18-19,24-25H,8-13H2,1-7H3/t14-,15+,16+,18-,19-,20-,21+,22+;14-,15+,16-,18-,19-,20-,21+,22+/m00/s1 |
| InChIKey | BBEZWBREUKPDTC-PFXAACRXSA-N |
| Mol Weight | 769.1 g/mol |
| Molecular Formula | C44H80O10 |
| Exact Mass | 768.575149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASCvyFj0ovb |
|---|---|
| Name | LYSOCELLIN-RETROALDOL-KETONE;ALPHA/BETA-MIXTURE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H80O10 |
| InChI | InChI=1S/2C22H40O5/c2*1-8-16(17(23)9-2)19-14(5)12-20(7,26-19)22(25)15(6)13-21(11-4,27-22)18(24)10-3/h2*14-16,18-19,24-25H,8-13H2,1-7H3/t14-,15+,16+,18-,19-,20-,21+,22+;14-,15+,16-,18-,19-,20-,21+,22+/m00/s1 |
| InChIKey | BBEZWBREUKPDTC-PFXAACRXSA-N |
| Literature Reference Author | N.ORAKE,H.SETO,M.KOENUMA |
| Literature Reference Citation | AGR.BIOL.CHEM.,42,1879(1978) |
| Literature Reference DOI | 10.1271/bbb1961.42.1879 |
| Molecular Weight | 769.113 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT8651 |