| SpectraBase Compound ID | GzF7r6SEkrP |
|---|---|
| InChI | InChI=1S/C34H40O10/c1-15(2)20(35)12-18-24(36)22-25(37)19-13-32(41-9)14-21-31(7,8)44-33(29(32)40,11-10-16(3)28(38)39)34(19,21)43-27(22)23-26(18)42-17(4)30(23,5)6/h10,13,17,20-21,35-36H,1,11-12,14H2,2-9H3,(H,38,39)/b16-10+/t17-,20?,21+,32-,33-,34+/m1/s1 |
| InChIKey | HNSYUDVBSKCUEM-UPHZXFNLSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C34H40O10 |
| Exact Mass | 608.262147 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 51DGFCvDjZD |
|---|---|
| Name | Scortechinone R |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H40O10 |
| InChI | InChI=1S/C34H40O10/c1-15(2)20(35)12-18-24(36)22-25(37)19-13-32(41-9)14-21-31(7,8)44-33(29(32)40,11-10-16(3)28(38)39)34(19,21)43-27(22)23-26(18)42-17(4)30(23,5)6/h10,13,17,20-21,35-36H,1,11-12,14H2,2-9H3,(H,38,39)/b16-10+/t17-,20?,21+,32-,33-,34+/m1/s1 |
| InChIKey | HNSYUDVBSKCUEM-UPHZXFNLSA-N |
| Molecular Weight | 608.684 g/mol |
| SMILES | Oc1c(c2c(c3c1C(C=1[C@]4([C@]5(C\C=C\(C(=O)O)C)OC([C@@]4(C[C@@](C1)(OC)C5=O)[H])(C)C)O3)=O)C([C@](O2)(C)[H])(C)C)CC(C(=C)C)O |
| SPLASH | splash10-053r-0042390000-d549ee314d67f0c936c3 |
| Source of Spectrum | X2-68-1016-2 |
| Wiley ID | 1609608 |