| SpectraBase Compound ID | IUjES42pvkn |
|---|---|
| InChI | InChI=1S/C51H68O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-31-45(52)59-51-48(56-39-43-32-34-44(54-2)35-33-43)46(53)47(55-36-40-25-18-15-19-26-40)49(57-37-41-27-20-16-21-28-41)50(51)58-38-42-29-22-17-23-30-42/h15-23,25-30,32-35,46-51,53H,3-14,24,31,36-39H2,1-2H3/t46-,47-,48+,49+,50-,51+/m1/s1 |
| InChIKey | RKVOSKXCWIBIFS-QSLBALPWSA-N |
| Mol Weight | 809.1 g/mol |
| Molecular Formula | C51H68O8 |
| Exact Mass | 808.491419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrmRaWocUAj |
|---|---|
| Name | (-)-2-O-HEXADECANOYL-1-O-(PARA-METHOXYBENZYL)-3,4,5-TRI-O-BENZYL-MYO-INOSITOL |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H68O8 |
| InChI | InChI=1S/C51H68O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-31-45(52)59-51-48(56-39-43-32-34-44(54-2)35-33-43)46(53)47(55-36-40-25-18-15-19-26-40)49(57-37-41-27-20-16-21-28-41)50(51)58-38-42-29-22-17-23-30-42/h15-23,25-30,32-35,46-51,53H,3-14,24,31,36-39H2,1-2H3/t46-,47-,48+,49+,50-,51+/m1/s1 |
| InChIKey | RKVOSKXCWIBIFS-QSLBALPWSA-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 | 809.096 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23321 |