| SpectraBase Compound ID | AlODaBVLxaf |
|---|---|
| InChI | InChI=1S/C64H100O5S2/c1-21-41(39(2)3)23-22-40(4)47-26-27-48-46-25-24-42-34-43(30-32-63(42,19)49(46)31-33-64(47,48)20)68-54(65)28-29-55(66)69-57-52(60(11,12)13)37-45(38-53(57)61(14,15)16)71-62(17,18)70-44-35-50(58(5,6)7)56(67)51(36-44)59(8,9)10/h24,35-41,43,46-49,67H,21-23,25-34H2,1-20H3/t40-,41-,43+,46+,47-,48+,49+,63+,64-/m1/s1 |
| InChIKey | RQOVARYSRAIRPD-YBTXCGEESA-N |
| Mol Weight | 1013.6 g/mol |
| Molecular Formula | C64H100O5S2 |
| Exact Mass | 1012.701219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1PAtJZeX2X |
|---|---|
| Name | BETA-SITOSTEROL-SUCCINOBUCOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O5S2 |
| InChI | InChI=1S/C64H100O5S2/c1-21-41(39(2)3)23-22-40(4)47-26-27-48-46-25-24-42-34-43(30-32-63(42,19)49(46)31-33-64(47,48)20)68-54(65)28-29-55(66)69-57-52(60(11,12)13)37-45(38-53(57)61(14,15)16)71-62(17,18)70-44-35-50(58(5,6)7)56(67)51(36-44)59(8,9)10/h24,35-41,43,46-49,67H,21-23,25-34H2,1-20H3/t40-,41-,43+,46+,47-,48+,49+,63+,64-/m1/s1 |
| InChIKey | RQOVARYSRAIRPD-YBTXCGEESA-N |
| Literature Reference Author | O.JURCEK,S.IKONEN,L.BURCICOVA,M.WIMMEROVA,Z.WIMMER,P.DRASAR, J.HORNICEK,A.GALANDA |
| Literature Reference Citation | MOLECULES,16,9404(2011) |
| Literature Reference DOI | 10.3390/molecules16119404 |
| Molecular Weight | 1013.615 g/mol |
| Sample ID | 377 |
| Solvent | CDCl3 |