![3.alpha.-Hydroxy-aleuritolic Acid - 2.beta.[(p-Hydroxybenzoate]](/api/spectrum/CGkkAqYwUrl/structure.png?h=300&w=458 "3.alpha.-Hydroxy-aleuritolic Acid - 2.beta.[(p-Hydroxybenzoate]")
| SpectraBase Compound ID | BB7dEZsk97K |
|---|---|
| InChI | InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-26-34(5)15-12-25-33(3,4)29(39)24(43-30(40)22-8-10-23(38)11-9-22)20-36(25,7)27(34)13-16-35(26,6)28(37)21-32/h8-11,14,24-25,27-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,25?,27?,28?,29+,34-,35+,36-,37+/m0/s1 |
| InChIKey | QNPDXTIZTMEDPN-CXLZKJGPSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C37H52O6 |
| Exact Mass | 592.376389 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CGkkAqYwUrl |
|---|---|
| Name | 3.alpha.-Hydroxy-aleuritolic Acid - 2.beta.[(p-Hydroxybenzoate] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O6 |
| InChI | InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-26-34(5)15-12-25-33(3,4)29(39)24(43-30(40)22-8-10-23(38)11-9-22)20-36(25,7)27(34)13-16-35(26,6)28(37)21-32/h8-11,14,24-25,27-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,25?,27?,28?,29+,34-,35+,36-,37+/m0/s1 |
| InChIKey | QNPDXTIZTMEDPN-CXLZKJGPSA-N |
| Molecular Weight | 592.817 g/mol |
| SMILES | OC([C@@]12CC=C3[C@]4(C([C@]5(C[C@](OC(c6ccc(cc6)O)=O)([C@](C(C5CC4)(C)C)(O)[H])[H])C)CC[C@]3(C1CC(CC2)(C)C)C)C)=O |
| SPLASH | splash10-00di-0910000000-604de2d35ef4f0f43381 |
| Source of Spectrum | G4-58-1045-7 |
| Wiley ID | 1605922 |