| SpectraBase Compound ID | 6MGLaDdC0Qg |
|---|---|
| InChI | InChI=1S/C35H44O11/c1-15(2)19(36)13-18-24(37)21-25(38)22-28(42-9)33(43-10)14-20-32(7,8)46-34(30(33)41,12-11-16(3)29(39)40)35(20,22)45-27(21)23-26(18)44-17(4)31(23,5)6/h11,17,19-20,22,28,36-37H,1,12-14H2,2-10H3,(H,39,40)/b16-11+/t17-,19?,20-,22-,28?,33-,34+,35+/m0/s1 |
| InChIKey | URNSFYRCKOZPSO-DXLAFARLSA-N |
| Mol Weight | 640.7 g/mol |
| Molecular Formula | C35H44O11 |
| Exact Mass | 640.288362 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HbktimdLsiS |
|---|---|
| Name | Scortechinone S |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H44O11 |
| InChI | InChI=1S/C35H44O11/c1-15(2)19(36)13-18-24(37)21-25(38)22-28(42-9)33(43-10)14-20-32(7,8)46-34(30(33)41,12-11-16(3)29(39)40)35(20,22)45-27(21)23-26(18)44-17(4)31(23,5)6/h11,17,19-20,22,28,36-37H,1,12-14H2,2-10H3,(H,39,40)/b16-11+/t17-,19?,20-,22-,28?,33-,34+,35+/m0/s1 |
| InChIKey | URNSFYRCKOZPSO-DXLAFARLSA-N |
| Molecular Weight | 640.726 g/mol |
| SMILES | Oc1c(c2c(c3c1C([C@@]1([C@]4([C@]5(C\C=C\(C(=O)O)C)OC([C@@]4(C[C@@](C1OC)(OC)C5=O)[H])(C)C)O3)[H])=O)C([C@@](O2)(C)[H])(C)C)CC(C(=C)C)O |
| SPLASH | splash10-0a4i-0020090000-ecb5fa3e71f973b66b79 |
| Source of Spectrum | X2-68-1016-3 |
| Wiley ID | 1609607 |