| SpectraBase Compound ID | Hp1gS2mymXZ |
|---|---|
| InChI | InChI=1S/C40H40O13/c1-23(41)48-22-39-31(51-35(45)26-17-11-7-12-18-26)28(50-34(44)25-15-9-6-10-16-25)21-38(5,47)40(39)32(49-24(2)42)29(37(3,4)53-40)30(43)33(39)52-36(46)27-19-13-8-14-20-27/h6-20,28-29,31-33,47H,21-22H2,1-5H3/t28-,29-,31-,32+,33+,38-,39-,40-/m0/s1 |
| InChIKey | UNXHKUBBGHPHHO-WSODSWFOSA-N |
| Mol Weight | 728.7 g/mol |
| Molecular Formula | C40H40O13 |
| Exact Mass | 728.246891 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BfIG7ymbCwh |
|---|---|
| Name | 6,15-Diacetoxy-1,2,9-tris(benzoyloxy)-4-hydroxy-8-oxo-dihydro-.beta.-Agarofuran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H40O13 |
| InChI | InChI=1S/C40H40O13/c1-23(41)48-22-39-31(51-35(45)26-17-11-7-12-18-26)28(50-34(44)25-15-9-6-10-16-25)21-38(5,47)40(39)32(49-24(2)42)29(37(3,4)53-40)30(43)33(39)52-36(46)27-19-13-8-14-20-27/h6-20,28-29,31-33,47H,21-22H2,1-5H3/t28-,29-,31-,32+,33+,38-,39-,40-/m0/s1 |
| InChIKey | UNXHKUBBGHPHHO-WSODSWFOSA-N |
| Molecular Weight | 728.747 g/mol |
| SMILES | O[C@@]1([C@@]23[C@]([C@@](C([C@@]([C@]3(OC(=O)C)[H])(C(O2)(C)C)[H])=O)(OC(=O)c2ccccc2)[H])([C@]([C@](C1)(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])COC(=O)C)C |
| SPLASH | splash10-0a4i-0910001000-50e7fc5cc376cc363aad |
| Source of Spectrum | G4-63-51-2 |
| Wiley ID | 1608243 |