| SpectraBase Compound ID | HzywCAKC1w6 |
|---|---|
| InChI | InChI=1S/C50H85O12P.Na/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-47(53)59-39-45(40-61-63(56,57)60-38-44(52)37-51)62-48(54)31-23-21-24-35-58-49(55)36-42(3)28-25-27-41(2)32-33-46-43(4)29-26-34-50(46,5)6;/h25,27-28,32-33,36,44-45,51-52H,7-24,26,29-31,34-35,37-40H2,1-6H3,(H,56,57);/q;+1/p-1/b28-25+,33-32+,41-27+,42-36+;/t44-,45+;/m0./s1 |
| InChIKey | MBXGQRCVUBWWAU-XRYDJZIUSA-M |
| Mol Weight | 931.2 g/mol |
| Molecular Formula | C50H84NaO12P |
| Exact Mass | 930.559809 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtjzGAvwUvP |
|---|---|
| Name | 1-OCTADECANOYL-2-(6-ALL-TRANS-RETINOYLOXY)-HEXANOYL)-SN-GLYCERO-3-PHOSPHO-(S)-GLYCEROL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84NaO12P |
| InChI | InChI=1S/C50H85O12P.Na/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-47(53)59-39-45(40-61-63(56,57)60-38-44(52)37-51)62-48(54)31-23-21-24-35-58-49(55)36-42(3)28-25-27-41(2)32-33-46-43(4)29-26-34-50(46,5)6;/h25,27-28,32-33,36,44-45,51-52H,7-24,26,29-31,34-35,37-40H2,1-6H3,(H,56,57);/q;+1/p-1/b28-25+,33-32+,41-27+,42-36+;/t44-,45+;/m0./s1 |
| InChIKey | MBXGQRCVUBWWAU-XRYDJZIUSA-M |
| Literature Reference Author | P.J.PEDERSEN,S.K.ADOLPH,A.K.SUBRAMANIAN,A.AROURI,T.L.ANDRESE N,O.G.MOURITSEN,R.MA |
| Literature Reference Citation | J.MED.CHEM.,53,3782(2010) |
| Literature Reference DOI | 10.1021/jm100190c |
| Solvent | CDCl3:CD3OD=4:1 |
| Source File Reference | UWMZ46134 |