| SpectraBase Compound ID | Ecq9ttT8kXP |
|---|---|
| InChI | InChI=1S/2C48H93O16P/c2*1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(49)58-35-40(63-42(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)36-62-65(53,57-6)64-48-46(60-38-55-4)44(52)43(51)45(59-37-54-3)47(48)61-39-56-5/h2*40,43-48,51-52H,7-39H2,1-6H3/t2*40-,43+,44+,45-,46+,47+,48+,65?/m11/s1 |
| InChIKey | CMGAXLXGWUUQSN-MXALKSRCSA-N |
| Mol Weight | 1914.5 g/mol |
| Molecular Formula | C96H186O32P2 |
| Exact Mass | 1913.240248 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7wioMBbXNb |
|---|---|
| Name | 1D-O-(1,2-DI-O-PALMITOYL-SN-GLYCEROL-3-O-METHYLPHOSPHO)-2,5,6-O-TRIS-(METHOXYMETHYLENE)-MYO-INOSITOL |
| Compound Number | 44 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H186O32P2 |
| InChI | InChI=1S/2C48H93O16P/c2*1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(49)58-35-40(63-42(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)36-62-65(53,57-6)64-48-46(60-38-55-4)44(52)43(51)45(59-37-54-3)47(48)61-39-56-5/h2*40,43-48,51-52H,7-39H2,1-6H3/t2*40-,43+,44+,45-,46+,47+,48+,65?/m11/s1 |
| InChIKey | CMGAXLXGWUUQSN-MXALKSRCSA-N |
| Literature Reference Author | R.J.KUBIAK,K.S.BRUZIK |
| Literature Reference Citation | J.ORG.CHEM.,68,960(2003) |
| Literature Reference DOI | 10.1021/jo0206418 |
| Solvent | CDCl3 |
| Source File Reference | UWLU22868 |