![MICROCYBIN;(REL)-(E)-1-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-2-[1,4-BETA-DIMETHYL-2-ALPHA-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-CYCLOHEX-1-EN-4-YL]-ETHENE](/api/spectrum/7EoctciXuOR/structure.png?h=300&w=458 "MICROCYBIN;(REL)-(E)-1-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-2-[1,4-BETA-DIMETHYL-2-ALPHA-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-CYCLOHEX-1-EN-4-YL]-ETHENE")
| SpectraBase Compound ID | 8E0EMEk5LDI |
|---|---|
| InChI | InChI=1S/C30H28O8/c1-16-9-11-30(2,12-10-19-14-17-5-7-22(31)26(35-3)24(17)37-28(19)33)21(13-16)20-15-18-6-8-23(32)27(36-4)25(18)38-29(20)34/h5-8,10,12-15,21,31-32H,9,11H2,1-4H3/b12-10+/t21-,30+/m0/s1 |
| InChIKey | RNLPSNKUVOXFDH-XBNKHXIQSA-N |
| Mol Weight | 516.55 g/mol |
| Molecular Formula | C30H28O8 |
| Exact Mass | 516.178418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7EoctciXuOR |
|---|---|
| Name | Microcybin |
| Alternate Name(s) | 3,3'-Prenyl-dicoumarin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H28O8 |
| InChI | InChI=1S/C30H28O8/c1-16-9-11-30(2,12-10-19-14-17-5-7-22(31)26(35-3)24(17)37-28(19)33)21(13-16)20-15-18-6-8-23(32)27(36-4)25(18)38-29(20)34/h5-8,10,12-15,21,31-32H,9,11H2,1-4H3/b12-10+/t21-,30+/m0/s1 |
| InChIKey | RNLPSNKUVOXFDH-XBNKHXIQSA-N |
| Molecular Weight | 516.546 g/mol |
| SMILES | Oc1ccc2c(OC(C([C@]3([C@@](\C=C\C4=Cc5c(c(c(cc5)O)OC)OC4=O)(CCC(=C3)C)C)[H])=C2)=O)c1OC |
| SPLASH | splash10-0a4i-0090010000-f3470994914f3bd70e4c |
| Source of Spectrum | X2-79-1842-1 |
| Wiley ID | 1605157 |