| SpectraBase Compound ID | 2HtXRo8QPid |
|---|---|
| InChI | InChI=1S/C52H88O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)38(5)25-24-37(4)36(2)3/h12-13,15-16,26,36-38,40-45,47-50,54-56H,8-11,14,17-25,27-35H2,1-7H3/b13-12-,16-15-/t37-,38-,40+,41+,42-,43+,44+,45-,47-,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | GQUUYRBGRSKWNI-PVDCGZKRSA-N |
| Mol Weight | 825.3 g/mol |
| Molecular Formula | C52H88O7 |
| Exact Mass | 824.653005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdHGv7B0XAO |
|---|---|
| Name | ACYLATED-(CAMPESTEROL)-GLUCOSIDE |
| Compound Number | 3-ASG-(CAM PESTEROL) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H88O7 |
| InChI | InChI=1S/C52H88O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)38(5)25-24-37(4)36(2)3/h12-13,15-16,26,36-38,40-45,47-50,54-56H,8-11,14,17-25,27-35H2,1-7H3/b13-12-,16-15-/t37-,38-,40+,41+,42-,43+,44+,45-,47-,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | GQUUYRBGRSKWNI-PVDCGZKRSA-N |
| Literature Reference Author | P.L.SELMAIR,P.KOEHLER |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,5597(2009) |
| Literature Reference DOI | 10.1021/jf9008982 |
| Molecular Weight | 825.267 g/mol |
| Sample ID | 41781 |
| Solvent | CDCl3 |