| SpectraBase Compound ID | 5khemS8C34O |
|---|---|
| InChI | InChI=1S/C40H50O20/c1-44-18-26-32(50-7)35(53-10)36(54-11)40(59-26)60-37(41)19-14-22(45-2)29(47-4)24(15-19)57-28-21(39(43)56-13)17-25(31(49-6)34(28)52-9)58-27-20(38(42)55-12)16-23(46-3)30(48-5)33(27)51-8/h14-17,26,32,35-36,40H,18H2,1-13H3/t26-,32-,35+,36-,40-/m1/s1 |
| InChIKey | MWJPNUGDBKNNOH-DUBUILALSA-N |
| Mol Weight | 850.8 g/mol |
| Molecular Formula | C40H50O20 |
| Exact Mass | 850.289544 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 76HT4CjAoR |
|---|---|
| Name | Plathyacanthin |
| Alternate Name(s) | 1-Dehydro-trigalloyl-.alpha.-D-Glucose-Pemethylated cpd. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H50O20 |
| InChI | InChI=1S/C40H50O20/c1-44-18-26-32(50-7)35(53-10)36(54-11)40(59-26)60-37(41)19-14-22(45-2)29(47-4)24(15-19)57-28-21(39(43)56-13)17-25(31(49-6)34(28)52-9)58-27-20(38(42)55-12)16-23(46-3)30(48-5)33(27)51-8/h14-17,26,32,35-36,40H,18H2,1-13H3/t26-,32-,35+,36-,40-/m1/s1 |
| InChIKey | MWJPNUGDBKNNOH-DUBUILALSA-N |
| Molecular Weight | 850.820 g/mol |
| SMILES | c1(c(c(OC)c(c(c1)Oc1c(cc(c(c1OC)OC)OC)C(=O)OC)OC)Oc1c(c(OC)cc(C(O[C@@]2([C@@]([C@@](OC)([C@@]([C@](O2)(COC)[H])(OC)[H])[H])(OC)[H])[H])=O)c1)OC)C(=O)OC |
| SPLASH | splash10-03fs-0892000000-710f0c70a43326a2b890 |
| Source of Spectrum | X4-21-790-0 |
| Wiley ID | 1585910 |