| SpectraBase Compound ID | AyxGtHKcR0M |
|---|---|
| InChI | InChI=1S/C54H72O8/c1-4-6-7-8-9-10-11-12-13-14-15-16-26-33-48(55)62-54-52(61-42-46-34-36-47(56-3)37-35-46)49(57-38-5-2)50(58-39-43-27-20-17-21-28-43)51(59-40-44-29-22-18-23-30-44)53(54)60-41-45-31-24-19-25-32-45/h5,17-25,27-32,34-37,49-54H,2,4,6-16,26,33,38-42H2,1,3H3/t49-,50-,51+,52+,53-,54+/m1/s1 |
| InChIKey | HUHMBVZMBGXCJM-CFJXPGNISA-N |
| Mol Weight | 849.2 g/mol |
| Molecular Formula | C54H72O8 |
| Exact Mass | 848.522719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EPhnkCYow |
|---|---|
| Name | (-)-6-O-ALLYL-2-O-HEXADECANOYL-1-O-(PARA-METHOXYBENZYL)-3,4,5-TRI-O-BENZYL-MYO-INOSITOL |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H72O8 |
| InChI | InChI=1S/C54H72O8/c1-4-6-7-8-9-10-11-12-13-14-15-16-26-33-48(55)62-54-52(61-42-46-34-36-47(56-3)37-35-46)49(57-38-5-2)50(58-39-43-27-20-17-21-28-43)51(59-40-44-29-22-18-23-30-44)53(54)60-41-45-31-24-19-25-32-45/h5,17-25,27-32,34-37,49-54H,2,4,6-16,26,33,38-42H2,1,3H3/t49-,50-,51+,52+,53-,54+/m1/s1 |
| InChIKey | HUHMBVZMBGXCJM-CFJXPGNISA-N |
| Literature Reference Author | J.XUE,N.SHAO,Z.GUO |
| Literature Reference Citation | J.ORG.CHEM.,68,4020(2003) |
| Literature Reference DOI | 10.1021/jo034213t |
| Molecular Weight | 849.161 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23320 |