| SpectraBase Compound ID | Dac59e9w56p |
|---|---|
| InChI | InChI=1S/C62H96O5S2/c1-38(2)21-20-22-39(3)45-25-26-46-44-24-23-40-33-41(29-31-61(40,18)47(44)30-32-62(45,46)19)66-52(63)27-28-53(64)67-55-50(58(10,11)12)36-43(37-51(55)59(13,14)15)69-60(16,17)68-42-34-48(56(4,5)6)54(65)49(35-42)57(7,8)9/h23,34-39,41,44-47,65H,20-22,24-33H2,1-19H3/t39-,41+,44+,45-,46+,47+,61+,62-/m1/s1 |
| InChIKey | MHQIPIFFJZITMC-XLYCGOSZSA-N |
| Mol Weight | 985.6 g/mol |
| Molecular Formula | C62H96O5S2 |
| Exact Mass | 984.669919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yJ3wynbmB6 |
|---|---|
| Name | CHOLESTEROL-SUCCINOBUCOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H96O5S2 |
| InChI | InChI=1S/C62H96O5S2/c1-38(2)21-20-22-39(3)45-25-26-46-44-24-23-40-33-41(29-31-61(40,18)47(44)30-32-62(45,46)19)66-52(63)27-28-53(64)67-55-50(58(10,11)12)36-43(37-51(55)59(13,14)15)69-60(16,17)68-42-34-48(56(4,5)6)54(65)49(35-42)57(7,8)9/h23,34-39,41,44-47,65H,20-22,24-33H2,1-19H3/t39-,41+,44+,45-,46+,47+,61+,62-/m1/s1 |
| InChIKey | MHQIPIFFJZITMC-XLYCGOSZSA-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 | 985.561 g/mol |
| Sample ID | 375 |
| Solvent | CDCl3 |