| SpectraBase Compound ID | DWQMpzxrjl9 |
|---|---|
| InChI | InChI=1S/C35H44O9/c1-17(2)11-12-20-25(37)22-26(38)23-29(40-9)33(41-10)15-21-32(7,8)44-34(30(33)39,14-13-18(3)16-36)35(21,23)43-28(22)24-27(20)42-19(4)31(24,5)6/h11,13,16,19,21,23,29,37H,12,14-15H2,1-10H3/b18-13+/t19-,21+,23?,29?,33+,34-,35-/m1/s1 |
| InChIKey | UMRUGVMKZFBRLT-SGTQDDQHSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C35H44O9 |
| Exact Mass | 608.298533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4aaIWTUITji |
|---|---|
| Name | Scortechinone T |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H44O9 |
| InChI | InChI=1S/C35H44O9/c1-17(2)11-12-20-25(37)22-26(38)23-29(40-9)33(41-10)15-21-32(7,8)44-34(30(33)39,14-13-18(3)16-36)35(21,23)43-28(22)24-27(20)42-19(4)31(24,5)6/h11,13,16,19,21,23,29,37H,12,14-15H2,1-10H3/b18-13+/t19-,21+,23?,29?,33+,34-,35-/m1/s1 |
| InChIKey | UMRUGVMKZFBRLT-SGTQDDQHSA-N |
| Molecular Weight | 608.728 g/mol |
| SMILES | Oc1c2c(O[C@@]34[C@]5(C(=O)[C@@](C[C@]4(C(C)(C)O5)[H])(OC)C(C3C2=O)OC)C\C=C\(C=O)C)c2c(O[C@@](C2(C)C)(C)[H])c1CC=C(C)C |
| SPLASH | splash10-0540-0090001000-c9a0fb4b3339833f3b9b |
| Source of Spectrum | X2-68-1016-4 |
| Wiley ID | 1609606 |