| SpectraBase Compound ID | CW0bhvj0BB3 |
|---|---|
| InChI | InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3 |
| InChIKey | UFCGDBKFOKKVAC-UHFFFAOYSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C30H32O9 |
| Exact Mass | 536.204633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C0SjWhecXYh |
|---|---|
| Name | Schisanthrin A |
| CAS Registry Number | 58546-56-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H32O9 |
| InChI | InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3 |
| InChIKey | UFCGDBKFOKKVAC-UHFFFAOYSA-N |
| Molecular Weight | 536.577 g/mol |
| SMILES | OC1(C(c2c(-c3c(c4OCOc4cc3CC1C)OC)c(c(c(OC)c2)OC)OC)OC(=O)c1ccccc1)C |
| SPLASH | splash10-052o-3809350000-3557d937dd821b248ec5 |
| Source of Spectrum | E1-38-1410-3 |
| Wiley ID | 1518289 |