| SpectraBase Compound ID | DcgMzWSj9yC |
|---|---|
| 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-TWDDPRSNSA-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 | 9bHRiPdYbDz |
|---|---|
| Name | BETA-SITOSTERYL-3-BETA-GLUCOPYRANOSIDE-6'-O-PALMITATE |
| Compound Number | 1 |
| 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-TWDDPRSNSA-N |
| Literature Reference Author | A.T.NGUYEN,H.MALONNE,P.DUEZ,R.VANHAELEN-FASTRE,M.VANHAELEN,J .FONTAINE |
| Literature Reference Citation | FITOTERAPIA,75,500(2004) |
| Literature Reference DOI | 10.1016/j.fitote.2004.03.009 |
| Molecular Weight | 815.271 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ46645 |