| SpectraBase Compound ID | DC2IENbDsYv |
|---|---|
| InChI | InChI=1S/C32H30O10/c1-3-5-15-7-13-9-17-25(19(33)11-21(35)27(17)29(37)23(13)31(39)41-15)26-18-10-14-8-16(6-4-2)42-32(40)24(14)30(38)28(18)22(36)12-20(26)34/h9-12,15-16,33-38H,3-8H2,1-2H3/t15-,16-/m0/s1 |
| InChIKey | WFWLAZBEASXXJJ-HOTGVXAUSA-N |
| Mol Weight | 574.6 g/mol |
| Molecular Formula | C32H30O10 |
| Exact Mass | 574.183897 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G9FMQoAtQZS |
|---|---|
| Name | Talaroderxine A |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H30O10 |
| InChI | InChI=1S/C32H30O10/c1-3-5-15-7-13-9-17-25(19(33)11-21(35)27(17)29(37)23(13)31(39)41-15)26-18-10-14-8-16(6-4-2)42-32(40)24(14)30(38)28(18)22(36)12-20(26)34/h9-12,15-16,33-38H,3-8H2,1-2H3/t15-,16-/m0/s1 |
| InChIKey | WFWLAZBEASXXJJ-HOTGVXAUSA-N |
| Molecular Weight | 574.582 g/mol |
| SMILES | Oc1c2c(c(-c3c(cc(c4c(c5c(cc34)C[C@@](OC5=O)(CCC)[H])O)O)O)c(cc2O)O)cc2c1C(O[C@](C2)(CCC)[H])=O |
| SPLASH | splash10-00di-0000090000-79debb94edd5ed5d5c31 |
| Source of Spectrum | E1-40-1118-1 |
| Synonyms | Talaroderxine B (3S)-7,9,10-trihydroxy-3-propyl-6-[(3S)-7,9,10-trihydroxy-1-oxo-3-propyl-3,4-dihydrobenzo[g][2]benzopyran-6-yl]-3,4-dihydrobenzo[g][2]benzopyran-1-one (3S)-7,9,10-trihydroxy-3-propyl-6-[(3S)-7,9,10-trihydroxy-1-oxo-3-propyl-3,4-dihydrobenzo[g]isochromen-6-yl]-3,4-dihydrobenzo[g]isochromen-1-one (3S)-7,9,10-tris(oxidanyl)-3-propyl-6-[(3S)-7,9,10-tris(oxidanyl)-1-oxidanylidene-3-propyl-3,4-dihydrobenzo[g]isochromen-6-yl]-3,4-dihydrobenzo[g]isochromen-1-one |
| Wiley ID | 1519423 |