| SpectraBase Compound ID | BbSb891eY40 |
|---|---|
| InChI | InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(53)58-48-47(55)46(54)44(34-52)57-49(48)56-39-29-31-50(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/h25,35-37,39-44,46-49,52,54-55H,8-24,26-34H2,1-7H3/t36-,37?,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| InChIKey | ODTAWIVTPQNNLO-FBXZFUBGSA-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 | BDsIGGY0aNy |
|---|---|
| Name | BETA-SITOSTERYL-3-O-BETA-D-GLUCOPYRANOSYL-2'-O-PALMITATE |
| Compound Number | 6 |
| 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(53)58-48-47(55)46(54)44(34-52)57-49(48)56-39-29-31-50(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/h25,35-37,39-44,46-49,52,54-55H,8-24,26-34H2,1-7H3/t36-,37?,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| InChIKey | ODTAWIVTPQNNLO-FBXZFUBGSA-N |
| Literature Reference Author | M.M.RADWAN,M.A.ELSOHLY,D.SLADE,S.A.AHMED,L.WILSON,A.T.EL-ALF Y,I.A.KHAN,S.A.ROSS |
| Literature Reference Citation | PHYTOCHEM.,69,2627(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.07.010 |
| Molecular Weight | 815.271 g/mol |
| Sample ID | 63120 |
| Solvent | CDCl3 |