| SpectraBase Compound ID | GlbjcUdTYf4 |
|---|---|
| InChI | InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1 |
| InChIKey | BKGUPIVDQHHVMV-RZGKOBFOSA-N |
| Mol Weight | 514.6 g/mol |
| Molecular Formula | C28H34O9 |
| Exact Mass | 514.220283 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CrqDjPc6PHx |
|---|---|
| Name | Schisanthrin B |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H34O9 |
| InChI | InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1 |
| InChIKey | BKGUPIVDQHHVMV-RZGKOBFOSA-N |
| Molecular Weight | 514.571 g/mol |
| SMILES | O[C@@]1([C@](c2c(-c3c(c4OCOc4cc3C[C@@]1(C)[H])OC)c(c(c(OC)c2)OC)OC)(OC(\C(=C/C)C)=O)[H])C |
| SPLASH | splash10-08gl-9006320000-4ea737aed317833d2e67 |
| Source of Spectrum | E1-38-1410-4 |
| Wiley ID | 1518288 |