| SpectraBase Compound ID | Caw4rufKJ1c |
|---|---|
| InChI | InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24?,26?,27?,28-,29?,34+,35-,36+,37-/m1/s1 |
| InChIKey | VGODRAUARQJBJM-BIYQKERQSA-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 | CPlh9upleB9 |
|---|---|
| Name | 1.beta.-Hydroxy-aleuritolic Acid - 3-(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)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24?,26?,27?,28-,29?,34+,35-,36+,37-/m1/s1 |
| InChIKey | VGODRAUARQJBJM-BIYQKERQSA-N |
| Molecular Weight | 592.817 g/mol |
| SMILES | Oc1ccc(C(OC2C(C3CC[C@@]4(C([C@]3([C@@](C2)(O)[H])C)CC[C@@]2(C4=CC[C@]3(CCC(CC23)(C)C)C(=O)O)C)C)(C)C)=O)cc1 |
| SPLASH | splash10-00dr-0920000000-d0f1aa8151423df80a8b |
| Source of Spectrum | G4-58-1044-1 |
| Wiley ID | 1605927 |