| SpectraBase Compound ID | AHmSDZ7sgM7 |
|---|---|
| InChI | InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36?,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChIKey | IWTJDVBNIUPPPB-RSDRZJKPSA-N |
| Mol Weight | 653.1 g/mol |
| Molecular Formula | C45H80O2 |
| Exact Mass | 652.615832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iw9HLJ0ePb7 |
|---|---|
| Name | BETA-SITOSTEROL-PALMITATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80O2 |
| InChI | InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36?,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChIKey | IWTJDVBNIUPPPB-RSDRZJKPSA-N |
| Literature Reference Author | V.K.AGNIHOTRI,H.N.ELSOHLY,S.I.KHAN,T.J.SMILLIE,I.A.KHAN,L.A. WALKER |
| Literature Reference Citation | PHYTOCHEM.,69,2061(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.04.009 |
| Molecular Weight | 653.129 g/mol |
| Sample ID | 63206 |
| Solvent | CDCl3 |