| SpectraBase Compound ID | 3h8DwkkpcfR |
|---|---|
| InChI | InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51?/m1/s1 |
| InChIKey | JCLYMCVRBRHEHI-QMKHEHLPSA-N |
| Mol Weight | 815.3 g/mol |
| Molecular Formula | C51H90O7 |
| Exact Mass | 814.668655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6Qd4DkjxSC |
|---|---|
| Name | 3-O-(6'-O-PALMITOYL-BETA-D-GLUCOPYRANOSYL)-BETA-SITOSTEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H90O7 |
| InChI | InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51?/m1/s1 |
| InChIKey | JCLYMCVRBRHEHI-QMKHEHLPSA-N |
| Literature Reference Author | R.SALINAS,J.ARELLANO-GARCIA,I.PEREA-ARANGO,L.ALVAREZ,M.L.GAR DUNO-RAMIREZ |
| Literature Reference Citation | MOLECULES,19,8679(2014) |
| Literature Reference DOI | 10.3390/molecules19068679 |
| Molecular Weight | 815.271 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR14818 |