![2.alpha.-Hydroxy-aleuritolic Acid - 2,3-bis[(p-Hydroxybenzoate]](/api/spectrum/CMJ5vRDgvsI/structure.png?h=300&w=458 "2.alpha.-Hydroxy-aleuritolic Acid - 2,3-bis[(p-Hydroxybenzoate]")
| SpectraBase Compound ID | CWGkG1wD4HL |
|---|---|
| InChI | InChI=1S/C44H56O8/c1-39(2)22-23-44(38(49)50)21-18-32-41(5)19-16-31-40(3,4)35(52-37(48)27-10-14-29(46)15-11-27)30(51-36(47)26-8-12-28(45)13-9-26)24-43(31,7)33(41)17-20-42(32,6)34(44)25-39/h8-15,18,30-31,33-35,45-46H,16-17,19-25H2,1-7H3,(H,49,50)/t30-,31?,33?,34?,35+,41-,42+,43-,44+/m0/s1 |
| InChIKey | XPEVLOSUULAUFH-WLDDEHRCSA-N |
| Mol Weight | 712.9 g/mol |
| Molecular Formula | C44H56O8 |
| Exact Mass | 712.397519 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CMJ5vRDgvsI |
|---|---|
| Name | 2.alpha.-Hydroxy-aleuritolic Acid - 2,3-bis[(p-Hydroxybenzoate] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H56O8 |
| InChI | InChI=1S/C44H56O8/c1-39(2)22-23-44(38(49)50)21-18-32-41(5)19-16-31-40(3,4)35(52-37(48)27-10-14-29(46)15-11-27)30(51-36(47)26-8-12-28(45)13-9-26)24-43(31,7)33(41)17-20-42(32,6)34(44)25-39/h8-15,18,30-31,33-35,45-46H,16-17,19-25H2,1-7H3,(H,49,50)/t30-,31?,33?,34?,35+,41-,42+,43-,44+/m0/s1 |
| InChIKey | XPEVLOSUULAUFH-WLDDEHRCSA-N |
| Molecular Weight | 712.924 g/mol |
| SMILES | OC([C@@]12CC=C3[C@]4(C([C@@]5(C(C([C@@]([C@@](OC(c6ccc(cc6)O)=O)(C5)[H])(OC(c5ccc(cc5)O)=O)[H])(C)C)CC4)C)CC[C@]3(C1CC(CC2)(C)C)C)C)=O |
| SPLASH | splash10-00dr-0930000000-15861dfb0411c269594e |
| Source of Spectrum | G4-58-1044-5 |
| Wiley ID | 1605923 |