| SpectraBase Compound ID | CNfnhh53Pii |
|---|---|
| InChI | InChI=1S/C25H28O5/c1-24(2)9-7-15-11-14(5-6-18(15)29-24)19-12-17(26)22-21(28-19)13-20-16(23(22)27)8-10-25(3,4)30-20/h5-6,11,13,19,27H,7-10,12H2,1-4H3 |
| InChIKey | QSAGUVMYNHRPAW-UHFFFAOYSA-N |
| Mol Weight | 408.49 g/mol |
| Molecular Formula | C25H28O5 |
| Exact Mass | 408.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6xFrtv82uhy |
|---|---|
| Name | Paratocarpin J |
| Alternate Name(s) | 8-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g][1]benzopyran-6-one 8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-5-oxidanyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one 8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one 8-(2,2-dimethylchroman-6-yl)-5-hydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O5 |
| InChI | InChI=1S/C25H28O5/c1-24(2)9-7-15-11-14(5-6-18(15)29-24)19-12-17(26)22-21(28-19)13-20-16(23(22)27)8-10-25(3,4)30-20/h5-6,11,13,19,27H,7-10,12H2,1-4H3 |
| InChIKey | QSAGUVMYNHRPAW-UHFFFAOYSA-N |
| Molecular Weight | 408.494 g/mol |
| SMILES | Oc1c2c(OC(CC2=O)c2cc3CCC(Oc3cc2)(C)C)cc2OC(C)(C)CCc12 |
| SPLASH | splash10-004r-0900200000-8ce532b8efc4ad04c0ec |
| Source of Spectrum | H1-41-2323-5 |
| Wiley ID | 757412 |