| SpectraBase Compound ID | H1APGQ18oQy |
|---|---|
| InChI | InChI=1S/C51H88O7/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/h23-25,35-37,39-44,46-49,53-55H,8-22,26-34H2,1-7H3/b24-23+/t36-,37+,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| InChIKey | SQDYRCMAEQXKCQ-ZKJMYDGDSA-N |
| Mol Weight | 813.3 g/mol |
| Molecular Formula | C51H88O7 |
| Exact Mass | 812.653005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8tBHnfvVX5 |
|---|---|
| Name | 3-O-(6'-O-PALMITOYL)-BETA-D-GLUCOPYRANOSYL-STIGMASTEROL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H88O7 |
| InChI | InChI=1S/C51H88O7/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/h23-25,35-37,39-44,46-49,53-55H,8-22,26-34H2,1-7H3/b24-23+/t36-,37+,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| InChIKey | SQDYRCMAEQXKCQ-ZKJMYDGDSA-N |
| Literature Reference Author | C.LAVAUD,G.MASSIOT,J.B.BARRERA,C.MORETTI,L.L.MEN-OLIVIER |
| Literature Reference Citation | PHYTOCHEM.,37,1671(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89590-4 |
| Molecular Weight | 813.256 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS6439 |